Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ME2 | P23368 | 1/20 | 0.53 |
| ▸ | ME1 | P48163 | 1/20 | 0.53 |
| ▸ | ME3 | Q16798 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | USP2 | O75604 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.51 |
| ▸ | GHSR | Q92847 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL748074 | 0.87 | GRM5 (0.55) | MAPK1CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL743550 | 0.84 | CYP3A4 (0.49) | MAPK1CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL747330 | 0.84 | EPHX2 (0.51) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL3748820 | 0.80 | LIPE (0.57) | MAPK1MEN1KMT2AHRH3ITGB3 | |
| SCHEMBL747217 | 0.79 | EPHX2 (0.54) | MAPK1CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL746449 | 0.78 | EPHX2 (0.48) | MAPK1CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL747836 | 0.78 | EPHX2 (0.49) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL745801 | 0.77 | EPHX2 (0.52) | ITGB3ITGA2BEPHX2 | |
| SCHEMBL5287 | 0.75 | CHRM4 (0.44) | EPHX2 | |
| SCHEMBL622213 | 0.74 | FFAR4 (0.46) | MAPK1CYP3A4CYP2C19TSHRALDH1A1 |
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-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | claimed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | claimed |