Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | FYN | P06241 | 2/20 | 0.45 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL74247 | 0.84 | CYP3A4 (0.74) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9201238 | 0.83 | CYP3A4 (0.46) | CYP3A4THRBCYP2C9KDM4EHSP90AA1 | |
| SCHEMBL9199842 | 0.81 | CYP3A4 (0.57) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL11134303 | 0.81 | CYP3A4 (0.64) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9200532 | 0.79 | CYP3A4 (0.42) | CYP3A4THRBCYP2C9LMNACYP51A1 | |
| SCHEMBL10512062 | 0.78 | CYP3A4 (0.64) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| Azaconazole SCHEMBL3009257 | 0.78 | CYP3A4 (0.69) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| Azaconazole SCHEMBL29354903 | 0.78 | CYP3A4 (0.69) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| Azaconazole SCHEMBL21056 | 0.78 | CYP3A4 (0.69) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL10389132 | 0.77 | CYP3A4 (0.67) | CYP3A4THRBCYP2C9KDM4ELMNA |
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 |