Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 11/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14600773 | 0.88 | RAB9A (0.47) | NPC1RAB9A | |
| SCHEMBL14286160 | 0.83 | CHRM1 (0.42) | CHRM1ADORA2AADORA1CHRM3NPC1 | |
| SCHEMBL14286157 | 0.72 | MAPK1 (0.56) | NPC1RAB9A | |
| SCHEMBL14600758 | 0.72 | GSK3B (0.41) | CHRM1ADORA2AADORA1CHRM3AR | |
| SCHEMBL14600765 | 0.70 | ADORA2A (0.41) | ADORA2AADORA1ARNPC1RAB9A | |
| SCHEMBL14600762 | 0.68 | ADORA2A (0.40) | ADORA2AADORA1ARCNR1P2RX7 | |
| SCHEMBL14600764 | 0.68 | ADORA2A (0.40) | CHRM1ADORA2AADORA1ARPTGES | |
| SCHEMBL10067970 | 0.65 | PTGES (0.39) | CHRM1ADORA2AADORA1CHRM3NPC1 | |
| SCHEMBL10067397 | 0.64 | ADORA2A (0.40) | CHRM1ADORA2AADORA1ARCNR1 | |
| SCHEMBL14600753 | 0.63 | GSK3B (0.53) | NPC1RAB9A |
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-1697352-B1 | 4-AZOLE SUBSTITUTED IMIDAZOLE COMPOSITIONS USEFUL AS INHIBITORS OR C-MET RECEPTOR TYROSINE KINASE | VERTEX PHARMA (US) | 2012-06-27 | — | — | EP | disclosed |
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |