Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | QDPR | P09417 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL13548337 | 0.84 | ACHE (0.35) | ACHEPTPN1ALOX5ESR2CYP3A4 | |
| SCHEMBL14087772 | 0.81 | CYP19A1 (0.35) | CYP3A4 | |
| SCHEMBL13548355 | 0.81 | TAS1R3 (0.32) | — | |
| SCHEMBL13408483 | 0.79 | — | — | |
| SCHEMBL17637479 | 0.76 | CA2 (0.40) | — | |
| SCHEMBL13606167 | 0.75 | ESR2 (0.53) | ALOX5ESR2CYP3A4ESR1 | |
| SCHEMBL19500351 | 0.74 | — | — | |
| SCHEMBL20202903 | 0.74 | — | — | |
| SCHEMBL82500 | 0.73 | — | — | |
| SCHEMBL14087897 | 0.73 | BRD4 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| EP-1658350-B1 | COMPOUNDS FOR USE IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2010-01-20 | — | — | EP | disclosed |