Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 12/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 3/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.30 |
| ▸ | SOAT2 | O75908 | 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 | |
|---|---|---|---|---|
| SCHEMBL19850904 | 1.00 | ESR2 (0.35) | ESR2DGAT1SOAT1CYP17A1CYP11B1 | |
| SCHEMBL19850841 | 0.90 | ESR2 (0.35) | ESR2DGAT1SOAT1CYP2C9ESR1 | |
| SCHEMBL8771256 | 0.90 | ESR2 (0.35) | ESR2DGAT1SOAT1CYP2C9ESR1 | |
| SCHEMBL6686674 | 0.90 | ESR2 (0.35) | ESR2DGAT1SOAT1CYP2C9ESR1 | |
| SCHEMBL8771239 | 0.90 | ESR2 (0.35) | ESR2DGAT1SOAT1CYP2C9ESR1 | |
| SCHEMBL8024926 | 0.89 | DGAT1 (0.34) | ESR2DGAT1SOAT1 | |
| SCHEMBL19844724 | 0.89 | SLC6A3 (0.35) | ESR2DGAT1SOAT1CYP2C9SOAT2 | |
| SCHEMBL9136179 | 0.88 | ESR2 (0.34) | ESR2DGAT1SOAT1CYP2C9CCR2 | |
| SCHEMBL19844735 | 0.88 | ESR2 (0.33) | ESR2DGAT1SOAT1CYP2C9 | |
| SCHEMBL3965147 | 0.86 | ESR2 (0.31) | ESR2DGAT1SOAT1GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| EP-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |