Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9901549 | 0.77 | SCN5A (0.33) | — | |
| SCHEMBL1166849 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL856703 | 0.71 | CYP1A2 (0.30) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9900516 | 0.70 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1707146 | 0.68 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL1166447 | 0.65 | — | — | |
| SCHEMBL1161169 | 0.65 | KDM4E (0.31) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4031429 | 0.64 | DAO (0.35) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3086180 | 0.62 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16828409 | 0.61 | MAPT (0.51) | CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2648724-A1 | HYDROXYLATED AMINOTRIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077051-A1 | HYDROXYLATED AMINOTRIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-14 | — | — | WO | disclosed |