Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907232 | 0.95 | CYP3A4 (0.31) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8905157 | 0.81 | ALDH1A1 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8905618 | 0.79 | KDM4E (0.38) | CYP3A4CYP2C9 | |
| SCHEMBL8789745 | 0.78 | RORC (0.40) | — | |
| SCHEMBL8906411 | 0.78 | GPR119 (0.38) | CYP1A2 | |
| SCHEMBL8905588 | 0.76 | PPARG (0.35) | — | |
| SCHEMBL8906629 | 0.76 | GPR119 (0.39) | — | |
| SCHEMBL8905446 | 0.75 | AGTR1 (0.38) | — | |
| SCHEMBL8789960 | 0.74 | PPARG (0.47) | — | |
| SCHEMBL8905804 | 0.73 | KDM4E (0.40) | CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5684029-A | HYPOTENSIVE AGENTS | KARL THOMAE GMBH (DE) | 1997-11-04 | — | — | US | disclosed |