Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 14/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | TEK | Q02763 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL4666643 | 0.93 | ADORA1 (0.49) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600658 | 0.92 | ADORA1 (0.43) | ADORA1ADORA3P2RY1ADORA2AADORA2B | |
| SCHEMBL14600656 | 0.91 | ADORA1 (0.43) | ADORA1ADORA3P2RY1ADORA2AADORA2B | |
| SCHEMBL14600202 | 0.90 | ADORA1 (0.45) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600657 | 0.88 | ADORA1 (0.41) | ADORA1ADORA3P2RY1ADORA2AADORA2B | |
| SCHEMBL14600655 | 0.87 | ADORA1 (0.41) | ADORA1ADORA3P2RY1ADORA2AADORA2B | |
| SCHEMBL14600659 | 0.86 | ADORA1 (0.43) | ADORA1ADORA3P2RY1ADORA2AADORA2B | |
| SCHEMBL4666620 | 0.85 | ADORA1 (0.50) | ADORA1ADORA3P2RY1ADORA2AADORA2B | |
| SCHEMBL4669467 | 0.84 | ADORA1 (0.49) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600241 | 0.84 | ADORA1 (0.46) | ADORA1ADORA3ADORA2AADORA2BKDR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |