Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.53 |
| ▸ | PPIA | P62937 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8698039 | 0.90 | ADORA3 (0.52) | ADORA3ADORA2BADORA1PPIAALDH1A1 | |
| SCHEMBL8698699 | 0.86 | ADORA3 (0.58) | ADORA3ADORA2BADORA1PPIAALDH1A1 | |
| SCHEMBL8693552 | 0.78 | MAPT (0.54) | ADORA3ALDH1A1POLBKMT2ARAB9A | |
| SCHEMBL8696343 | 0.78 | ALDH1A1 (0.47) | PPIAALDH1A1POLBRAB9AGAA | |
| SCHEMBL8693623 | 0.77 | ALDH1A1 (0.48) | ADORA3ADORA1PPIAALDH1A1POLB | |
| SCHEMBL8698728 | 0.77 | ALDH1A1 (0.48) | ADORA3ADORA1PPIAALDH1A1POLB | |
| SCHEMBL8593357 | 0.77 | ALDH1A1 (0.48) | PPIAALDH1A1POLB | |
| SCHEMBL8696823 | 0.77 | ALDH1A1 (0.46) | ADORA3ADORA2BADORA1PPIAALDH1A1 | |
| SCHEMBL8696191 | 0.76 | EPHX1 (0.47) | ALDH1A1POLBKMT2ARAB9AGAA | |
| SCHEMBL8693064 | 0.76 | ALDH1A1 (0.52) | ALDH1A1POLBTDP1KMT2ANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5849779-A | Pyrazole derivatives and their pharmaceutical use | JAPAN ENERGY CORPORATION (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0810217-A1 | Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors | JAPAN ENERGY CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |