Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.34 |
| ▸ | ACVRL1 | P37023 | 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 | |
|---|---|---|---|---|
| SCHEMBL4666092 | 0.89 | ADORA1 (0.46) | ADORA1ADORA2AADORA2BKDM4CFABP3 | |
| SCHEMBL14600188 | 0.89 | ADORA1 (0.44) | ADORA1ADORA2AADORA2BKDM4C | |
| SCHEMBL4668225 | 0.87 | ADORA1 (0.44) | ADORA1ADORA2AADORA2BKDM4CFABP3 | |
| SCHEMBL4634753 | 0.84 | ADORA1 (0.43) | ADORA1ADORA2AADORA2BTGFBR1KDM4C | |
| SCHEMBL4667055 | 0.80 | ADORA1 (0.53) | ADORA1ADORA2BDHODH | |
| SCHEMBL4667046 | 0.77 | ADORA1 (0.52) | ADORA1ADORA2BKDM4CFABP3FABP4 | |
| SCHEMBL4667036 | 0.76 | ADORA1 (0.46) | ADORA1ADORA2AADORA2BHPGDFABP3 | |
| SCHEMBL14600448 | 0.75 | ADORA1 (0.43) | ADORA1ADORA2AADORA2BLMNAHPGD | |
| SCHEMBL14600449 | 0.74 | ADORA1 (0.46) | ADORA1ADORA2AADORA2BDHODH | |
| SCHEMBL14600263 | 0.74 | ADORA1 (0.49) | ADORA1DHODH |
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 |