Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL4665900 | 0.91 | ADORA1 (0.51) | ADORA1MAPTTP53ADORA3DHODH | |
| SCHEMBL5008775 | 0.77 | ADORA1 (0.55) | ADORA1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL5005236 | 0.76 | ADORA1 (0.56) | ADORA1MAPTTP53ALDH1A1ADORA3 | |
| SCHEMBL5008553 | 0.76 | ADORA1 (0.59) | ADORA1MAPTTP53ADORA3DHODH | |
| SCHEMBL3307066 | 0.75 | GFER (0.46) | ADORA1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL5005626 | 0.75 | ADORA1 (0.51) | ADORA1MAPTALDH1A1ADORA3MAPK13 | |
| SCHEMBL5005410 | 0.75 | MAPK14 (0.53) | ADORA1KDM4EALDH1A1MAPK13MAPK12 | |
| SCHEMBL5005393 | 0.74 | ADORA1 (0.47) | ADORA1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL5008431 | 0.73 | ADORA1 (0.62) | ADORA1MAPTTP53ADORA3DHODH | |
| SCHEMBL5011998 | 0.72 | MAPT (0.59) | ADORA1MAPTTP53ALDH1A1 |
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 |