Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL743517 | 0.87 | MAPK1 (0.54) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL743550 | 0.82 | CYP3A4 (0.49) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL3747144 | 0.82 | LIPE (0.54) | GRM5ITGB3ITGA2B | |
| SCHEMBL747330 | 0.81 | EPHX2 (0.51) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL5287 | 0.77 | CHRM4 (0.44) | EPHX2CHRM4 | |
| SCHEMBL747217 | 0.77 | EPHX2 (0.54) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL746449 | 0.76 | EPHX2 (0.48) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL747836 | 0.76 | EPHX2 (0.49) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL745801 | 0.75 | EPHX2 (0.52) | EPHX2ITGB3ITGA2B | |
| SCHEMBL1904828 | 0.73 | GRM5 (0.77) | GRM5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | claimed |