Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14529396 | 0.89 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL13300121 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL14529277 | 0.77 | PIP4K2C (0.59) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL11372118 | 0.76 | KDM4E (0.43) | CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10 | |
| SCHEMBL14529185 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL14529155 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL11365055 | 0.73 | KDM4E (0.43) | CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10 | |
| SCHEMBL802148 | 0.73 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL801802 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL14529455 | 0.70 | USP1 (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR |
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-1318814-B1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2007-05-30 | — | — | EP | disclosed |