Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 8/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.43 |
| ▸ | BMPR1A | P36894 | 2/20 | 0.43 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.43 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL15074582 | 0.79 | NPC1 (0.57) | ACVR1AURKATTKAURKBINCENP | |
| SCHEMBL9754547 | 0.77 | MCL1 (0.55) | KDM4EALDH1A1HPGDMDM2GLA | |
| SCHEMBL29077121 | 0.76 | ALDH1A1 (0.47) | ACVR1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7351074 | 0.74 | AURKA (0.67) | ACVR1AURKATTKAURKBINCENP | |
| SCHEMBL9536884 | 0.73 | KDM4E (0.46) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL11846505 | 0.73 | KDM4E (0.49) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL9754396 | 0.72 | ACVR1 (0.42) | ACVR1AURKATTKAURKBINCENP | |
| SCHEMBL9539748 | 0.71 | FASN (0.46) | KDM4EALDH1A1HPGDMDM2GLA | |
| SCHEMBL3479396 | 0.71 | KDM4E (0.53) | KDM4EALDH1A1HPGDMDM2GLA | |
| SCHEMBL15070838 | 0.71 | GSK3B (0.61) | ACVR1NPC1RAB9AKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532531-A1 | PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991017987-A1 | PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-11-28 | — | — | WO | disclosed |