Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9204066 | 1.00 | CYP3A4 (0.41) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9821120 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9844129 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9197163 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9201689 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9197539 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9735697 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9200913 | 0.88 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL3955770 | 0.86 | CYP3A4 (0.44) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 | |
| SCHEMBL17777817 | 0.86 | CYP3A4 (0.44) | CYP3A4THRBCYP2C9CYP2C19CYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431968-B1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | SANKYO CO (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | disclosed |