Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 6/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14600765 | 0.81 | ADORA2A (0.41) | ADORA2AADORA1ROCK2ROCK1MEN1 | |
| SCHEMBL14286159 | 0.80 | ALDH1A1 (0.41) | ADORA2AADORA1MEN1KMT2AHDAC6 | |
| SCHEMBL14286139 | 0.78 | ROCK2 (0.40) | ADORA2AADORA1ROCK2ROCK1MEN1 | |
| SCHEMBL14286176 | 0.74 | HPGD (0.52) | MEN1KMT2AMAPK1MAPK10 | |
| SCHEMBL14286135 | 0.72 | ROCK2 (0.41) | ADORA2AADORA1ROCK2ROCK1MEN1 | |
| SCHEMBL14286138 | 0.71 | GSK3B (0.45) | ADORA2AADORA1ROCK2ROCK1MEN1 | |
| SCHEMBL10067970 | 0.71 | PTGES (0.39) | ADORA2AADORA1CHRM1CCNA2CDK2 | |
| SCHEMBL14286160 | 0.70 | CHRM1 (0.42) | ADORA2AADORA1ROCK2ROCK1MEN1 | |
| SCHEMBL14286149 | 0.69 | MAPK1 (0.41) | MAPK1MAPK10 | |
| SCHEMBL5037079 | 0.68 | KCNN4 (0.40) | — |
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-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |