Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3654921 | 0.89 | ALDH1A1 (0.69) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL11354344 | 0.86 | ALDH1A1 (0.65) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| Cyanide SCHEMBL11354354 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL41372 | 0.81 | ALDH1A1 (0.82) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1660614 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1910 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1820762 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1582969 | 0.77 | ALDH1A1 (0.91) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL2341706 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8971393 | 0.75 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0573455-A1 | METHOD OF PREPARATION OF PILOCARPINES AND INTERMEDIATES THEREOF | MACFARLAN SMITH LIMITED (GB) | 1993-12-15 | — | — | EP | claimed |
| CN-114585616-A | Amide derivatives and their use in medicine | 广东东阳光药业有限公司 | 2022-06-03 | — | — | CN | disclosed |
| EP-2621907-A1 | FUNGICIDAL IMIDAZOLES | E.I. Du Pont De Nemours And Company (US) | 2013-08-07 | — | — | EP | disclosed |
| EP-2590657-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012044650-A1 | FUNGICIDAL IMIDAZOLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2011153135-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2011-12-08 | — | — | WO | disclosed |
| EP-2367428-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2011-09-28 | — | — | EP | disclosed |
| EP-2358204-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2011-08-24 | — | — | EP | disclosed |
| EP-2323659-A1 | COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES | Abbott Laboratories (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2011056463-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-05-12 | — | — | WO | disclosed |
| EP-1763528-A1 | PYRAZOLOPYRIDINE DERIVATIVES | Astellas Pharma Inc. (JP) | 2007-03-21 | — | — | EP | disclosed |
| WO-2006004188-A1 | PYRAZOLOPYRIDINE DERIVATIVES | ASTELLAS PHARMA INC. (JP) | 2006-01-12 | — | — | WO | disclosed |
| EP-1126843-A4 | COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME | BRISTOL MYERS SQUIBB CO (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1175406-A1 | IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2002-01-30 | — | — | EP | disclosed |
| EP-1126843-A1 | COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000066563-A1 | IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2000-11-09 | — | — | WO | disclosed |
| WO-2000025780-A1 | COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-05-11 | — | — | WO | disclosed |
| EP-0769947-A4 | INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE | SUGEN INC (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0769947-A1 | INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE | Sugen, Inc. (US) | 1997-05-02 | — | — | EP | disclosed |
| WO-1996040116-A1 | INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE | SUGEN, INC. (US) | 1996-12-19 | — | — | WO | disclosed |