Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CCR1 | P32246 | 7/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | LIPE | Q05469 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL745542 | 0.83 | CYP2C9 (0.52) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL744705 | 0.82 | CYP1A2 (0.47) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL746711 | 0.82 | CYP2C9 (0.48) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL3740078 | 0.80 | LIPE (0.66) | CCR1LIPE | |
| SCHEMBL744430 | 0.79 | LIPE (0.68) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL744989 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL746622 | 0.76 | CCR1 (0.44) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL2955821 | 0.75 | MMP2 (0.61) | ALDH1A1TSHRSMN1; SMN2CCR1FAAH | |
| SCHEMBL744218 | 0.73 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL2953603 | 0.72 | MAPT (0.59) | ALDH1A1TSHRFAAHCHRM4 |
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 |