Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.43 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7208362 | 0.82 | ABCG2 (0.77) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL7212651 | 0.80 | ABCG2 (0.61) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL7208381 | 0.76 | CYP3A4 (0.77) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL7209019 | 0.74 | CYP3A4 (0.61) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL12909555 | 0.72 | ABCG2 (0.82) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL8343783 | 0.71 | CYP3A4 (0.52) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL8343777 | 0.71 | CYP3A4 (0.52) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL14570723 | 0.71 | ABCG2 (0.81) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL17670572 | 0.70 | CYP3A4 (0.58) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL939786 | 0.70 | CYP3A4 (0.58) | ABCG2CYP3A4KCNH2CYP2C9CYP2C19 |
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-1286988-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | Basilea Pharmaceutica AG (CH) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001079196-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-10-25 | — | — | WO | disclosed |