Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 18/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795469 | 1.00 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP2C19CYP11B1TSHR | |
| Nitric Acid SCHEMBL9795315 | 0.79 | RAB9A (0.40) | CYP19A1CYP3A4SMN1; SMN2 | |
| Nitric Acid SCHEMBL9795307 | 0.79 | RAB9A (0.40) | CYP19A1CYP3A4SMN1; SMN2 | |
| SCHEMBL13285157 | 0.72 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP2C19CYP11B1TSHR | |
| SCHEMBL8104971 | 0.71 | CYP19A1 (0.56) | CYP19A1CYP3A4CYP2C19CYP11B1TSHR | |
| SCHEMBL8104969 | 0.71 | CYP19A1 (0.56) | CYP19A1CYP3A4CYP2C19CYP11B1TSHR | |
| SCHEMBL10361474 | 0.70 | HSP90AA1 (0.49) | CYP19A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL9792757 | 0.69 | HSP90AA1 (0.48) | CYP19A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7709352 | 0.68 | CYP19A1 (0.47) | CYP19A1 | |
| SCHEMBL7709350 | 0.68 | CYP19A1 (0.47) | CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5032607-A | Enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-07-16 | — | — | US | disclosed |
| US-4866086-A | PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-09-12 | — | — | US | disclosed |
| EP-0299683-A2 | Heterocyclic olefinic compounds and their use as aromatase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-01-18 | — | — | EP | disclosed |