Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.52 |
| ▸ | COMT | P21964 | 1/20 | 0.52 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6691711 | 0.79 | GRM5 (0.52) | GRM5ACVR1BTGFBR1KDM4EMEN1 | |
| SCHEMBL13734402 | 0.78 | ERCC1 (0.52) | GRM5CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL23888697 | 0.72 | LMNA (0.50) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E | |
| SCHEMBL5016099 | 0.71 | ADORA2A (0.57) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL904382 | 0.71 | KDM4E (0.64) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E | |
| SCHEMBL29606764 | 0.71 | KDM4E (0.64) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E | |
| SCHEMBL27661576 | 0.71 | ADORA2A (0.50) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E | |
| SCHEMBL2715150 | 0.70 | GRM5 (0.46) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E | |
| SCHEMBL14238224 | 0.70 | NOTUM (0.52) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E | |
| SCHEMBL1895620 | 0.70 | GRM5 (0.57) | GRM5ACVR1BTGFBR1ALDH1A1KDM4E |
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-2590946-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | Merck Patent GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003912-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | MERCK PATENT GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |