Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19420333 | 1.00 | ESR1 (0.31) | ESR1CYP3A4CYP2C9ESR2APLNR | |
| SCHEMBL5655242 | 0.88 | — | — | |
| SCHEMBL18896335 | 0.83 | TSHR (0.44) | APLNR | |
| SCHEMBL19175005 | 0.82 | SHBG (0.46) | — | |
| SCHEMBL19862576 | 0.78 | APLNR (0.35) | ESR1CYP3A4CYP2C9ESR2APLNR | |
| SCHEMBL102654 | 0.78 | APLNR (0.35) | ESR1CYP3A4CYP2C9ESR2APLNR | |
| SCHEMBL16411251 | 0.78 | SHBG (0.39) | — | |
| SCHEMBL12509459 | 0.77 | CPN1 (0.40) | — | |
| SCHEMBL19420330 | 0.77 | — | — | |
| SCHEMBL17592557 | 0.77 | SMYD3 (0.33) | — |
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-4261651-A | CYCLOHEXANE CONTAINING DERIVATIVES OF AROMATIC NITRILES | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1981-04-14 | — | — | US | disclosed |