Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9313533 | 1.00 | CYP2C9 (0.51) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9313516 | 1.00 | CYP2C9 (0.51) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9313600 | 0.91 | SPHK1 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9313609 | 0.91 | SPHK1 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9313625 | 0.91 | SPHK1 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9314933 | 0.90 | SPHK1 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9314924 | 0.90 | SPHK1 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9314912 | 0.90 | SPHK1 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9315774 | 0.89 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9315767 | 0.89 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 2 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 |