Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9476570 | 1.00 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4HDAC2 | |
| SCHEMBL9476564 | 1.00 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4HDAC2 | |
| SCHEMBL9475782 | 0.90 | HDAC2 (0.41) | ESR2HDAC2MAOAMAOB | |
| SCHEMBL9475787 | 0.90 | HDAC2 (0.41) | ESR2HDAC2MAOAMAOB | |
| SCHEMBL9475793 | 0.90 | HDAC2 (0.41) | ESR2HDAC2MAOAMAOB | |
| SCHEMBL8963241 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4HDAC2 | |
| SCHEMBL9300385 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4HDAC2 | |
| SCHEMBL9507865 | 0.85 | HDAC2 (0.38) | ESR2HDAC2MAOAMAOB | |
| SCHEMBL9507875 | 0.85 | HDAC2 (0.38) | ESR2HDAC2MAOAMAOB | |
| SCHEMBL9476944 | 0.85 | PTGS2 (0.40) | ESR2HDAC2MAOAMAOB |
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 |