Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.41 |
| ▸ | ESR1 | P03372 | 8/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10913733 | 0.83 | ESR2 (0.42) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL8069888 | 0.81 | HRH3 (0.48) | KMT2A | |
| SCHEMBL8069958 | 0.77 | ESR2 (0.39) | ESR2ESR1 | |
| SCHEMBL23618101 | 0.70 | HSD17B1 (0.41) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL10636265 | 0.70 | AKT1 (0.47) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL10913109 | 0.70 | SOD1 (0.45) | ESR2ESR1CA1CA2OPRM1 | |
| SCHEMBL6761571 | 0.69 | ESR2 (0.40) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL6797610 | 0.69 | PPARG (0.47) | ESR2ESR1KMT2A | |
| SCHEMBL23618108 | 0.69 | ESR1 (0.40) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL3309945 | 0.69 | ADRA2A (0.43) | CA1CA2CA7CA9CA14 |
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-0826659-B1 | POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL | MITSUI CHEMICALS INC (JP) | 2000-06-14 | — | — | EP | disclosed |
| US-6019911-A | CAPABLE OF BEING IN A SMECTIC PHASE IN A WIDE TEMPERATURE RANGE INCLUDING ROOM TEMPERATURE; CAN BE USED AS A FERROELECTRIC LIQUID CRYSTAL MATERIAL OR AN ANTIFERROELECTRIC LIQUID | MITSUI CHEMICALS, INC. (JP) | 2000-02-01 | — | — | US | disclosed |
| EP-0826659-A1 | POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-04 | — | — | EP | disclosed |