Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 11/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9373572 | 0.95 | CYP3A4 (0.50) | KCNA5CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL10999210 | 0.78 | KCNA5 (0.47) | KCNA5CYP3A4CYP19A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL11094051 | 0.74 | HTT (0.44) | CYP3A4CYP3A5CYP19A1CYP1A2CYP2C9 | |
| SCHEMBL11630873 | 0.73 | CYP19A1 (0.59) | KCNA5CYP3A4CYP3A5CYP19A1CYP1A2 | |
| SCHEMBL933064 | 0.72 | CYP19A1 (0.43) | KCNA5CYP3A4CYP3A5CYP19A1CYP1A2 | |
| SCHEMBL19994154 | 0.71 | KCNA5 (0.71) | KCNA5CYP3A4CYP19A1CYP1A2CYP2C9 | |
| SCHEMBL9300288 | 0.71 | CYP19A1 (0.49) | CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL10457874 | 0.71 | CYP19A1 (0.47) | CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL9375772 | 0.70 | POLB (0.41) | KCNA5CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL9372131 | 0.69 | CYP19A1 (0.53) | KCNA5CYP3A4CYP3A5CYP19A1 |
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-5356899-A | Pesticides | BAYER AKTIENGESELLSCHAFT (DE) | 1994-10-18 | — | — | US | disclosed |
| EP-0594963-A1 | Substituted hydroxyalkylpyridines | BAYER AG (DE) | 1994-05-04 | — | — | EP | disclosed |