Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9313379 | 1.00 | ESR2 (0.49) | ESR2SPHK1HTR2CSPHK2HRH3 | |
| SCHEMBL9314625 | 0.84 | SPHK1 (0.43) | ESR2SPHK1SPHK2 | |
| SCHEMBL9314637 | 0.84 | SPHK1 (0.43) | ESR2SPHK1SPHK2 | |
| SCHEMBL15043501 | 0.83 | ESR2 (0.52) | ESR2SPHK1HTR2CCACNA1GCACNA1H | |
| SCHEMBL9313632 | 0.83 | SPHK1 (0.39) | SPHK1HTR2CSPHK2 | |
| SCHEMBL9313639 | 0.83 | SPHK1 (0.39) | SPHK1HTR2CSPHK2 | |
| SCHEMBL9314809 | 0.83 | CYP2C9 (0.51) | ESR2SPHK1SPHK2 | |
| SCHEMBL9314801 | 0.83 | CYP2C9 (0.51) | ESR2SPHK1SPHK2 | |
| SCHEMBL9314307 | 0.81 | SPHK1 (0.41) | SPHK1HTR2CSPHK2 | |
| SCHEMBL9314315 | 0.81 | SPHK1 (0.41) | SPHK1HTR2CSPHK2 |
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 4 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 |
| EP-0425622-A1 | MESOGENIC COMPOUNDS. | MERCK PATENT GMBH (DE) | 1991-05-08 | — | — | EP | disclosed |
| WO-1990013610-A1 | MESOGENIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-15 | — | — | WO | disclosed |