Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.58 |
| ▸ | TSHR | P16473 | 7/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 4/20 | 0.47 |
| ▸ | PRCP | P42785 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL764042 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL746672 | 0.84 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL745454 | 0.82 | CYP1A2 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL744430 | 0.80 | LIPE (0.68) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL3748806 | 0.80 | LIPE (0.68) | MEN1KMT2A | |
| SCHEMBL743396 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL26552871 | 0.75 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL746527 | 0.74 | LIPE (0.43) | — | |
| SCHEMBL743295 | 0.73 | LIPE (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL24227415 | 0.72 | USP2 (0.46) | CYP3A4CYP2C19CYP1A2CYP2D6SMN1; SMN2 |
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 |