Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 13/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 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 | |
|---|---|---|---|---|
| SCHEMBL14600672 | 0.95 | ADORA1 (0.46) | ADORA1ADORA3ADORA2AADORA2BP2RX7 | |
| SCHEMBL14600993 | 0.87 | ADORA1 (0.43) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL4665671 | 0.86 | P2RY1 (0.37) | ADORA1ADORA3P2RY1SCN8ASCN10A | |
| SCHEMBL14600440 | 0.84 | ADORA1 (0.50) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600266 | 0.84 | ADORA1 (0.54) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600704 | 0.81 | ADORA1 (0.46) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600233 | 0.80 | ADORA1 (0.46) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600195 | 0.80 | DHODH (0.42) | ADORA1ADORA3ADORA2AADORA2BP2RY1 | |
| SCHEMBL14601006 | 0.79 | ADORA1 (0.49) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL14600991 | 0.79 | ADORA1 (0.53) | ADORA1ADORA3ADORA2AADORA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1928455-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | Bayer Healthcare, LLC (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |