Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 7/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL19850825 | 1.00 | ESR2 (0.41) | ESR2DGAT1CYP2C9PTGS1PTGS2 | |
| SCHEMBL9406503 | 0.91 | ESR2 (0.41) | ESR2DGAT1CYP2C9ESR1CYP3A4 | |
| SCHEMBL9406495 | 0.91 | ESR2 (0.41) | ESR2DGAT1CYP2C9ESR1CYP3A4 | |
| SCHEMBL9160317 | 0.91 | ESR2 (0.41) | ESR2DGAT1CYP2C9ESR1CYP3A4 | |
| SCHEMBL7912624 | 0.88 | ESR2 (0.41) | ESR2DGAT1CYP2C9ESR1CYP3A4 | |
| SCHEMBL7912629 | 0.88 | ESR2 (0.41) | ESR2DGAT1CYP2C9ESR1CYP3A4 | |
| SCHEMBL8038589 | 0.88 | ESR2 (0.36) | ESR2DGAT1CYP2C9PTGS1PTGS2 | |
| SCHEMBL6456475 | 0.86 | PTGS1 (0.35) | ESR2DGAT1PTGS1PTGS2 | |
| SCHEMBL6456472 | 0.86 | PTGS1 (0.35) | ESR2DGAT1PTGS1PTGS2 | |
| SCHEMBL7741316 | 0.86 | ESR2 (0.44) | ESR2DGAT1CYP2C9ESR1CYP3A4 |
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-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5478497-A | For electro-optical purposes | HOFFMANN-LA ROCHE INC. (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |