Insilico Medicine

Biotechnology company

For the general use of computer simulation in medicine, see In silico medicine.

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Insilico Medicine

Company type| Private
Industry| Biotechnology
Founded| 2014 (2014)[1]
Founder| Alex Zhavoronkov
Headquarters| Science Park,

Hong Kong; New York City

Number of locations

| 6

Area served

| Artificial intelligence, deep learning

Key people

| Alex Zhavoronkov, PhD, Feng Ren, PhD, Alex Aliper, PhD, Michelle Chen, PhD, Nirav Jhaveri, MBA, Jimmy Lin, PhD, Quentin Vanhaelen, PhD
Services| Drug discovery
Website| insilico.com

Insilico Medicine is a biotechnology company based in Pak Shek Kok, Hong Kong in Hong Kong Science Park near the Chinese University of Hong Kong,[2] and in New York, at The Cure by Deerfield. The company combines genomics, big data analysis, and deep learning for in silico drug discovery.[3][4][5]

## History

[edit]

In 2011, Alex Zhavoronkov published an article in the journal PLOS One with Dr. Charles Cantor, previously director of the Human Genome Project at the Department of Energy (DOE) and founder of Sequenom on the International Aging Research Portfolio (IARP), establishing a public data set tracking government research funding and outcomes.[6] This work formed the basis for an artificial intelligence (AI) pharmacological analysis platform.

Zhavoronkov assertedly founded Insilico Medicine in 2014, as an alternative to animal testing for research and development programs in the pharmaceutical industry, using AI and deep-learning techniques to analyze how a compound will affect cells and what drugs can be used to treat the cells in addition to possible side effects. Through its Pharma.AI division, the company provides machine learning services to different pharmaceutical, biotechnology, and skin care companies.[7][8] Insilico is known for hiring mainly through hackathons such as their own MolHack online hackathon.[9]

The company has multiple collaborations in the applications of next-generation artificial intelligence technologies such as the generative adversarial networks (GANs) and reinforcement learning to the generation of novel molecular structures with desired properties.[10][11] In 2016, Insilico published an algorithm that it called the "Insilico Pathway Activation Network Decomposition Analysis" or "iPANDA" algorithm, asserted to allow researchers "to quickly and efficiently analyze signaling and metabolic pathway perturbation states using gene expression data".[12] In conjunction with Alan Aspuru-Guzik's group at Harvard, they published a journal article about an improved GAN architecture for molecular generation which combines GANs, reinforcement learning, and a differentiable neural computer.[13]

In 2017, Insilico was named one of the Top five AI companies by NVIDIA for its potential for social impact.[14] Insilico has R&D resources in Belgium, Russia, and the UK and hires talent through hackathons and other local competitions.[15] By mid-2017, Insilico had raised $8.26 million in funding from investors including Deep Knowledge Ventures, JHU A-Level Capital,[16] Jim Mellon,[17] and Juvenescence.[1][18][19][20] In 2019 it raised another $37 million from Fidelity Investments, Eight Roads Ventures, Qiming Venture Partners, WuXi AppTec, Baidu, Sinovation, Lilly Asia Ventures, Pavilion Capital, BOLD Capital, and other investors.[21]

The company "focused exclusively on drug discovery until 2019 when it began developing its own therapeutics".[22] In January 2021, Insilico entered into a partnership with Fosun Pharma, to facilitate entry into the Chinese market.[22] Later in 2021 after developing a novel preclinical candidate molecule for a novel target,[23] the company announced a series C $255 million megaround [24] from Warburg Pincus, Sequoia Capital, Orbimed, Mirae Asset Financial Group, and over 25 biotechnology, AI, and pharmaceutical investors.[25][26] By mid-2021, it claimed to have nominated eight preclinical candidates.[22] Another $60 million in new Series D financing was raised in 2022.[22] As of 2023[update] it was reported that over $400 million had been invested in the company.[27] In 2023, Zhavoronkov stated that he "moved the company's R&D to China to capitalize on 'half a trillion dollars' worth of infrastructure and hundreds of thousands of scientists [provided by the government] to enable AI-designed drugs".[28]

## Research

[edit]

The company "applies DL, big data, and genomis for in silico drug discovery" for various conditions.[2] It has sought to develop AI to "identify novel drug targets for untreated diseases", and has pursued dual-purpose therapeutics, "going after a specific disease or several diseases while targeting ageing at the same time".[27]

In 2019, the company in partnership with researchers at the University of Toronto, used AI to design potential new drugs. One was reported to have shown promising initial results when tested in mice.[29][30] Research areas for therapeutics have included fibrosis, immunology, oncology and the central nervous system.[22] To demonstrate the capacity of their proprietary AI platforms, the company published two projects on identifying therapeutic targets for ageing[31] and amyotrophic lateral sclerosis[32] in 29 March and 28 June 2022, respectively.[citation needed]

The company has collaborated with scientists at the University of Chicago, George Mason University, and University of Liverpool, focusing on ageing.[33] For ALS, the company worked with researchers from Answer ALS, Johns Hopkins University School of Medicine, Harvard Medical School, Mayo Clinic, Tsinghua University, and 4B Technologies Limited.[34] In 2023, it was reported that Insilico had initiated "one of the first mid-stage human trials of a drug discovered and designed by artificial intelligence".[35][36]

Outside of human drugs, in 2021 the company partnered with Swiss company Syngenta weedkillers.[37]

## References

[edit]

1. ^ a b Gantz S (23 February 2017). "Insilico Medicine raises $10 million". The Baltimore Sun. Tribune Publishing. Retrieved 16 July 2020.
2. ^ a b Saharan, Vikas Anand (2022). Computer Aided Pharmaceutics and Drug Delivery. Springer. p. 363-64.
3. ^ "Insilico Medicine launches a drug discovery platform ALS.AI". EurekAlert!. 1 June 2017. Retrieved 28 August 2017.
4. ^ Al Idrus A (16 August 2017). "GlaxoSmithKline taps Baltimore's Insilico for AI-based drug discovery". FierceBiotech. Retrieved 28 August 2017.
5. ^ "InSilico Medicine Company Profile". PitchBook. Retrieved 28 August 2017.
6. ^ Zhavoronkov A, Cantor CR (2011). "Methods for structuring scientific knowledge from many areas related to aging research". PLoS One. 6 (7): e22597. doi:10.1371/journal.pone.0022597. PMC 3142169. PMID 21799912.
7. ^ "New partnership uses artificial intelligence methods to develop solutions for preventing early aging". News-Medical.net. 1 August 2017. Retrieved 28 August 2017.
8. ^ Sandle T (12 August 2017). "Can artificial intelligence aid human age-reversal?". Archived from the original on 14 August 2017. Retrieved 28 August 2017.
9. ^ "MolHack Hackathon". molhack.com. Retrieved 10 August 2018.
10. ^ Kadurin A, Nikolenko S, Khrabrov K, Aliper A, Zhavoronkov A (September 2017). "druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in Silico". Molecular Pharmaceutics. 14 (9): 3098–3104. doi:10.1021/acs.molpharmaceut.7b00346. PMID 28703000.
11. ^ Cox P (14 March 2017). "Here's How Pharma Is Using AI Deep Learning To Cure Aging". Forbes. Retrieved 12 September 2017.
12. ^ "From Paper to Industrial-scale Platform: a 7-year Behind the Paper Journey from iPANDA to PandaOmics AI-Powered Target Discovery Platform". Nature Portfolio Bioengineering Community. 13 September 2022.
13. ^ Putin E, Asadulaev A, Ivanenkov Y, Aladinskiy V, Sanchez-Lengeling B, Aspuru-Guzik A, Zhavoronkov A (June 2018). "Reinforced Adversarial Neural Computer for de Novo Molecular Design". Journal of Chemical Information and Modeling. 58 (6): 1194–1204. doi:10.1021/acs.jcim.7b00690. PMID 29762023.
14. ^ Takahashi D (23 April 2017). "Nvidia identifies the top 5 AI startups for social impact". VentureBeat. Retrieved 28 August 2017.
15. ^ "AgeHack@MLBootCamp: The first Eurasian hackathon on AI for longevity to launch". 13 June 2017. Retrieved 28 August 2017.
16. ^ "JHU alumni-run A-Level Capital to support AI-powered drug discovery at Insilico Medicine". EurekAlert!. 28 June 2017. Retrieved 12 September 2017.
17. ^ McConaghie A (11 April 2017). "Billionaire Jim Mellon invests in anti-ageing research firm - Pharmaphorum". Pharmaphorum. Retrieved 12 September 2017.
18. ^ Galeon D (2 August 2017). "AI Is Helping This Anti-Aging Startup Uncover Ways for You to Live a Longer, Healthier Life". Futurism. Retrieved 12 September 2017.
19. ^ Fassbender M (August 2017). "Insilico, Juvenescence joint venture to develop AI-discovered molecules into new drugs". Outsourcing-Pharma.com. Retrieved 28 August 2017.
20. ^ Babcock S (28 July 2017). "Insilico Medicine signs deal to advance use of AI in discovering new drugs". Technical.ly. Baltimore. Retrieved 28 August 2017.
21. ^ Hale C (14 April 2021). "Insilico raises $37M with plans to bring its AI to more drug discovery partnerships". Fierce Biotech. Retrieved 14 April 2021.
22. ^ a b c d e Liao, Rita (6 June 2022). "Hong Kong's AI drug discovery firm Insilico closes $60M Series D". TechCrunch.
23. ^ Hale C (22 February 2021). "Breaking Big Pharma's AI barrier: Insilico Medicine uncovers novel target, new drug for pulmonary fibrosis in 18 months". Fierce Biotech. Retrieved 23 July 2021.
24. ^ Gelman M (22 June 2021). "With a new $255M megaround in hand, Alex Zhavoronkov has big plans for Insilico. Are they feasible?". Endpoints. Retrieved 23 July 2021.
25. ^ Betuel E (22 June 2021). "AI drug discovery platform Insilico Medicine announces $255 million in Series C funding". Techcrunch. San Francisco. Retrieved 23 July 2021.
26. ^ "AI drug discovery start-up Insilico raises more than $255m". Financial Times. London. 22 June 2021. Retrieved 23 July 2021.
27. ^ a b Tan, Dawn; Baker, Jalelah Abu (4 January 2023). "Big investors pour funds into longevity research, accelerating growth in field". CNA.
28. ^ Raiany Romanni, "Want to live to 150? The world needs more humans", The Boston Globe (2 April 2023), p. K1, K5.
29. ^ Jee C (3 September 2019). "An AI system identified a potential new drug in just 46 days". MIT Technology Review. Retrieved 14 August 2020.
30. ^ Knapp A. "This Startup Used AI To Design A Drug In 21 Days". Forbes. Retrieved 14 August 2020.
31. ^ Pun FW, Leung GH, Leung HW, Liu BH, Long X, Ozerov IV, et al. (March 2022). "Hallmarks of aging-based dual-purpose disease and age-associated targets predicted using PandaOmics AI-powered discovery engine". Aging. 14 (6): 2475–2506. doi:10.18632/aging.203960. PMC 9004567. PMID 35347083.
32. ^ Pun FW, Liu BH, Long X, Leung HW, Leung GH, Mewborne QT, et al. (28 June 2022). "Identification of Therapeutic Targets for Amyotrophic Lateral Sclerosis Using PandaOmics – An AI-Enabled Biological Target Discovery Platform". Frontiers in Aging Neuroscience. 14: 914017. doi:10.3389/fnagi.2022.914017. PMC 9273868. PMID 35837482.
33. ^ Sabry, Fouad (2022). Senolytic: Selectively induce death of senescent cells to improve humans' health. One Billion Knowledgeable. p. 93.
34. ^ Sarkar, Anjali A. (7 July 2022). "AI Finds Potential Drug Targets for Amyotrophic Lateral Sclerosis". GEN - Genetic Engineering and Biotechnology News.
35. ^ Smyth, Jamie (26 June 2023). "Biotech begins human trials of drug designed by artificial intelligence". Financial Times.
36. ^ Rosso, Cami (25 January 2023). "AI Finds Drug Candidate for Liver Cancer in 30 Days". Psychology Today.
37. ^ Andrew Noël and Agnieszka de Sousa, "AI is becoming a weapon in the battle against pests", Owensboro Messenger-Inquirer (via Bloomberg News, 7 February 2021), p. A5.

## External links

[edit]

* Deborah Borfitz, "Insilico Medicine’s AI-Driven Platform Pushes The Envelope Of Drug Discovery", Bio-IT World (15 December 2022).

*[GAN]: generative adversarial network
*[R&D]: research and development