Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14286151 | 0.81 | ADORA2A (0.39) | ADORA2AADORA1CCNA2CDK2HDAC6 | |
| SCHEMBL10067970 | 0.80 | PTGES (0.39) | ADORA2AADORA1CNR1CCNA2CDK2 | |
| SCHEMBL10067975 | 0.78 | ALDH1A1 (0.46) | KMT2AMEN1NPC1RAB9A | |
| SCHEMBL14600764 | 0.78 | ADORA2A (0.40) | ADORA2AADORA1CNR1CCNA2CDK2 | |
| SCHEMBL14600762 | 0.72 | ADORA2A (0.40) | ADORA2AADORA1CNR1CCNA2CDK2 | |
| SCHEMBL14600758 | 0.71 | GSK3B (0.41) | ADORA2AADORA1CNR1ARNPC1 | |
| SCHEMBL14286159 | 0.71 | ALDH1A1 (0.41) | ADORA2AADORA1CNR1HDAC6KMT2A | |
| SCHEMBL10067974 | 0.70 | CHRM1 (0.40) | ADORA2AADORA1CNR1CCNA2CDK2 | |
| SCHEMBL10067973 | 0.69 | RAB9A (0.51) | KMT2AMEN1NPC1RAB9A | |
| SCHEMBL10067397 | 0.69 | ADORA2A (0.40) | ADORA2AADORA1CNR1CCNA2CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |