Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7683016 | 0.85 | PDK1 (0.47) | PDK1PDK2PDK3PDK4MAPK1 | |
| SCHEMBL24968488 | 0.83 | PSMB8 (0.50) | CYP17A1NAMPTTDP2HDAC6HDAC3 | |
| SCHEMBL281590 | 0.81 | RAB9A (0.59) | PDK1PDK2PDK3PDK4MAPK1 | |
| SCHEMBL29029431 | 0.81 | HDAC3 (0.56) | CYP17A1NAMPTHDAC6HDAC3HDAC1 | |
| SCHEMBL4791491 | 0.80 | CA12 (0.46) | CYP17A1NAMPTHDAC6HDAC3HDAC1 | |
| SCHEMBL26785208 | 0.80 | MAPK1 (0.50) | CYP17A1NAMPTTDP2HDAC6HDAC3 | |
| SCHEMBL5894005 | 0.79 | CA2 (0.52) | CYP17A1NAMPTHDAC6HDAC3HDAC1 | |
| SCHEMBL3892771 | 0.79 | ALDH1A1 (0.52) | CYP17A1TDP2HDAC6HDAC3HDAC1 | |
| SCHEMBL296753 | 0.79 | HDAC3 (0.47) | CYP17A1NAMPTTDP2HDAC6HDAC3 | |
| SCHEMBL999347 | 0.79 | KMT2A (0.61) | CYP17A1TDP2HDAC6HDAC3HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1226119-B1 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2005-03-16 | — | — | EP | disclosed |
| EP-1226119-A4 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6479512-B1 | TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. | MERCK & CO., INC. | 2002-11-12 | — | — | US | disclosed |
| EP-1226119-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO. INC. (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001028993-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO. INC. (US) | 2001-04-26 | — | — | WO | disclosed |