Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.73 |
| ▸ | TSHR | P16473 | 9/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | USP2 | O75604 | 8/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL745746 | 0.84 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL764042 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL744430 | 0.81 | LIPE (0.68) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL745454 | 0.78 | CYP1A2 (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL744664 | 0.78 | LIPE (0.70) | MEN1KMT2A | |
| SCHEMBL744130 | 0.76 | LIPE (0.77) | MEN1KMT2A | |
| SCHEMBL746527 | 0.74 | LIPE (0.43) | — | |
| SCHEMBL744989 | 0.72 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL743295 | 0.72 | LIPE (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL29460579 | 0.72 | MEN1 (0.62) | TSHRALDH1A1SMN1; SMN2USP2MAPK1 |
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 |