Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.37 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9477671 | 1.00 | ESR2 (0.37) | ESR2ESR1PTGS1PTGS2CYP3A4 | |
| SCHEMBL9477653 | 1.00 | ESR2 (0.37) | ESR2ESR1PTGS1PTGS2CYP3A4 | |
| SCHEMBL9477680 | 1.00 | ESR2 (0.37) | ESR2ESR1PTGS1PTGS2CYP3A4 | |
| SCHEMBL9479280 | 0.95 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9GRM2 | |
| SCHEMBL9479295 | 0.95 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9GRM2 | |
| SCHEMBL9479287 | 0.95 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9GRM2 | |
| SCHEMBL9479291 | 0.95 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9GRM2 | |
| SCHEMBL9477765 | 0.91 | ESR2 (0.41) | ESR2ESR1CYP3A4CYP2C9GRM2 | |
| SCHEMBL9477744 | 0.91 | ESR2 (0.41) | ESR2ESR1CYP3A4CYP2C9GRM2 | |
| SCHEMBL9511502 | 0.91 | ESR2 (0.37) | ESR2ESR1CYP3A4CYP2C9DGAT1 |
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-0377469-B1 | A LIQUID CRYSTALLINE COMPOUND | CHISSO CORPORATION (JP) | 1993-10-06 | — | — | EP | disclosed |
| US-5183587-A | LIQUID CRYSTALLINE COMPOUND | CHISSO CORPORATION (JP) | 1993-02-02 | — | — | US | disclosed |
| EP-0377469-A1 | A liquid crystalline compound | CHISSO CORPORATION (JP) | 1990-07-11 | — | — | EP | disclosed |