Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 19/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.46 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5930259 | 0.87 | HSP90AB1 (0.45) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL10361732 | 0.80 | ALDH1A1 (0.45) | HSP90AB1HSP90AA1 | |
| SCHEMBL10470713 | 0.80 | CA2 (0.38) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL9182549 | 0.80 | CA2 (0.38) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL9182539 | 0.80 | CA2 (0.38) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL10917365 | 0.80 | MGMT (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL987717 | 0.79 | ADORA2A (0.56) | — | |
| SCHEMBL8781732 | 0.78 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL8782047 | 0.77 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL5930306 | 0.75 | CDK1 (0.52) | HSP90AB1HSP90AA1CYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0186640-B1 | DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION | Medivir Aktiebolag (SE) | 1990-02-07 | — | — | EP | disclosed |