Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 13/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | MARS1 | P56192 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.37 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14600188 | 0.87 | ADORA1 (0.44) | ADORA1MEN1USP2PABPC1KMT2A | |
| SCHEMBL4668599 | 0.80 | ADORA1 (0.50) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL5007765 | 0.79 | ADORA1 (0.68) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL14600204 | 0.78 | ADORA1 (0.47) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL14600200 | 0.77 | ADORA1 (0.51) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL14600704 | 0.76 | ADORA1 (0.46) | ADORA1ADORA2AADORA2BADORA3CYP1A2 | |
| SCHEMBL14600645 | 0.76 | ALDH1A1 (0.41) | ADORA1MEN1KMT2AMARS1KDM4E | |
| SCHEMBL4633959 | 0.76 | ADORA1 (0.44) | ADORA1ADORA2AADORA2BHPGDFABP3 | |
| SCHEMBL14600247 | 0.75 | ADORA1 (0.43) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL4668225 | 0.74 | ADORA1 (0.44) | ADORA1ADORA2AADORA2BMARS1ALDH1A1 |
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 |