Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28442385 | 1.00 | AR (0.37) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL30436667 | 0.86 | AR (0.50) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL524307 | 0.86 | AR (0.50) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL524308 | 0.86 | AR (0.50) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL1703087 | 0.79 | AR (0.47) | ARPGRCYP46A1SMN1; SMN2 | |
| SCHEMBL1703090 | 0.79 | AR (0.47) | ARPGRCYP46A1SMN1; SMN2 | |
| SCHEMBL12753815 | 0.78 | PGR (0.40) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL2609245 | 0.78 | PGR (0.40) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL9941767 | 0.72 | AR (0.52) | ARPGRCYP46A1ALDH1A1CYP3A4 | |
| SCHEMBL9941766 | 0.72 | AR (0.52) | ARPGRCYP46A1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111548317-A | Efavirenz synthesis method and method for preparing intermediate thereof | 苏州纪元康生物科技有限公司 | 2020-08-18 | — | — | CN | claimed |
| CN-111548317-A | Efavirenz synthesis method and method for preparing intermediate thereof | 苏州纪元康生物科技有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-111548317-A | Efavirenz synthesis method and method for preparing intermediate thereof | 苏州纪元康生物科技有限公司 | 2020-08-18 | — | — | CN | disclosed |