Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9314982 | 1.00 | ESR2 (0.47) | ESR2CACNA1GCACNA1HCACNA1ISPHK1 | |
| SCHEMBL9314991 | 1.00 | ESR2 (0.47) | ESR2CACNA1GCACNA1HCACNA1ISPHK1 | |
| SCHEMBL15043501 | 0.95 | ESR2 (0.52) | ESR2CACNA1GCACNA1HCACNA1ISPHK1 | |
| SCHEMBL9762751 | 0.93 | ESR2 (0.41) | ESR2CACNA1GCACNA1HCACNA1ISPHK1 | |
| SCHEMBL9762748 | 0.93 | ESR2 (0.41) | ESR2CACNA1GCACNA1HCACNA1ISPHK1 | |
| SCHEMBL9762745 | 0.93 | ESR2 (0.41) | ESR2CACNA1GCACNA1HCACNA1ISPHK1 | |
| SCHEMBL9315767 | 0.86 | CYP2C9 (0.39) | ESR2SPHK1CYP2C9ESR1CYP3A4 | |
| SCHEMBL9315774 | 0.86 | CYP2C9 (0.39) | ESR2SPHK1CYP2C9ESR1CYP3A4 | |
| SCHEMBL9315756 | 0.86 | CYP2C9 (0.39) | ESR2SPHK1CYP2C9ESR1CYP3A4 | |
| SCHEMBL9313540 | 0.84 | CYP2C9 (0.51) | ESR2SPHK1CYP2C9ESR1CYP3A4 |
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-0425622-B1 | MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 1994-10-12 | — | — | EP | disclosed |
| US-5308537-A | Unsaturated liquid crystal compounds containing trifluoromethyl groups | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-05-03 | — | — | US | disclosed |
| WO-1990013610-A1 | MESOGENIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-15 | — | — | WO | disclosed |