Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | IL1B | P01584 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL14286159 | 0.83 | ALDH1A1 (0.41) | PTGESADORA2AADORA1CHRM1NPC1 | |
| SCHEMBL14600765 | 0.80 | ADORA2A (0.41) | PTGESADORA2AADORA1NPC1RAB9A | |
| SCHEMBL10067973 | 0.74 | RAB9A (0.51) | NPC1RAB9ALMNAPOLBALDH1A1 | |
| SCHEMBL14286151 | 0.71 | ADORA2A (0.39) | ADORA2AADORA1CHRM1NPC1RAB9A | |
| SCHEMBL14600764 | 0.67 | ADORA2A (0.40) | PTGESADORA2AADORA1CHRM1CNR2 | |
| SCHEMBL10067975 | 0.66 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL10067974 | 0.65 | CHRM1 (0.40) | PTGESADORA2AADORA1CHRM1NPC1 | |
| SCHEMBL10067397 | 0.64 | ADORA2A (0.40) | ADORA2AADORA1CHRM1CNR2CNR1 | |
| SCHEMBL14600762 | 0.64 | ADORA2A (0.40) | ADORA2AADORA1P2RX7CNR2CNR1 | |
| SCHEMBL10067972 | 0.63 | KCNN4 (0.34) | PTGESNPC1LMNACDK2ALDH1A1 |
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 |