Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27663508 | 0.87 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27759708 | 0.87 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27759709 | 0.87 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL19831940 | 0.87 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL28492540 | 0.85 | TBXAS1 (0.45) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27683095 | 0.85 | CYP17A1 (0.43) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| Iodide SCHEMBL2001305 | 0.84 | TBXAS1 (0.41) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| Dodecane SCHEMBL28311807 | 0.84 | TBXAS1 (0.50) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL5294227 | 0.84 | CYP17A1 (0.48) | CYP17A1CYP19A1TBXA2R | |
| SCHEMBL5817539 | 0.84 | CYP17A1 (0.48) | CYP17A1CYP19A1TBXA2R |
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-9926285-B2 | Allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2018-03-27 | — | — | US | disclosed |