Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.55 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.55 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345297 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1345299 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344842 | 0.92 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344841 | 0.92 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344192 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344196 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344058 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344061 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344969 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1344973 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8063229-B2 | Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2011-11-22 | — | — | US | claimed |