Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 11/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL176946 | 0.79 | TRPV4 (0.57) | ARESR1ESR2TRPV4 | |
| SCHEMBL17672811 | 0.78 | CA12 (0.47) | ARESR1ESR2TRPV4CYP19A1 | |
| SCHEMBL31122790 | 0.78 | TRPV4 (0.55) | ARESR1ESR2TRPV4 | |
| SCHEMBL17672970 | 0.77 | CA12 (0.50) | ARESR1ESR2TRPV4CYP19A1 | |
| Alcohol SCHEMBL27852105 | 0.72 | TRPV4 (0.48) | ARESR1ESR2TRPV4 | |
| 4-Cyanophenol SCHEMBL6894396 | 0.72 | CA9 (0.59) | ARESR1ESR2TRPV4CYP19A1 | |
| SCHEMBL17672587 | 0.72 | MRGPRX4 (0.42) | ARESR1ESR2TRPV4CYP19A1 | |
| SCHEMBL91990 | 0.72 | CYP11B1 (0.48) | AR | |
| SCHEMBL3810952 | 0.71 | ESR1 (0.41) | ARESR1ESR2HCAR2 | |
| SCHEMBL17672698 | 0.69 | CA12 (0.50) | ARTRPV4CYP19A1 |
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-1132377-A1 | Propiolonitrile derivatives and liquid crystal compositions comprising the same | CHISSO CORPORATION (JP) | 2001-09-12 | — | — | EP | disclosed |
| US-6017467-A | HEAT AND CHEMICAL RESISTANCE | CHISSO CORPORATION (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0816332-A1 | Propiolonitrile derivatives and liquid crystal compositions comprising the same | Chisso Corporation (JP) | 1998-01-07 | — | — | EP | disclosed |