Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL10360757 | 0.73 | CYP3A4 (0.34) | CYP3A4CYP3A5CYP17A1KDM4E | |
| SCHEMBL10872520 | 0.70 | CYP19A1 (0.33) | CYP19A1CYP3A4CYP17A1HSD11B1KCNH2 | |
| SCHEMBL10361443 | 0.70 | CYP19A1 (0.46) | CYP19A1CYP3A4CYP3A5CYP17A1HSD11B1 | |
| SCHEMBL10361442 | 0.70 | CYP19A1 (0.46) | CYP19A1CYP3A4CYP3A5KCNH2CYP1A2 | |
| SCHEMBL10984883 | 0.69 | CCR6 (0.35) | CYP3A4CYP17A1KCNH2 | |
| SCHEMBL10872968 | 0.69 | CYP19A1 (0.34) | CYP19A1CYP3A4CYP17A1TSHRMAPK1 | |
| SCHEMBL10930042 | 0.68 | CYP19A1 (0.53) | CYP19A1CYP3A4CYP3A5HSD11B1KCNH2 | |
| SCHEMBL3222632 | 0.63 | TSHR (0.53) | CYP19A1CYP3A4CYP3A5TSHRMAPK1 | |
| SCHEMBL10758458 | 0.63 | CYP19A1 (0.60) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL11046127 | 0.63 | CYP3A4 (0.36) | CYP19A1CYP3A4TSHRMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0158448-A2 | Azolyl propanols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-10-16 | — | — | EP | disclosed |