Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9314912 | 1.00 | SPHK1 (0.46) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314924 | 1.00 | SPHK1 (0.46) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9313561 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314795 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314660 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9313550 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314377 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314667 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314814 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9761956 | 0.99 | SPHK1 (0.48) | SPHK1CYP2C9SPHK2ALDH1A1LMNA |
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 |