Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9853706 | 1.00 | CYP2C9 (0.54) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9156298 | 1.00 | CYP2C9 (0.54) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9156308 | 1.00 | CYP2C9 (0.54) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10718179 | 0.95 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10715665 | 0.95 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10553204 | 0.95 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10553199 | 0.95 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10718093 | 0.94 | SPHK1 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10717179 | 0.94 | SPHK1 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7576264 | 0.94 | CYP2C9 (0.54) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445274-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 1995-01-18 | — | — | EP | disclosed |
| EP-0445274-A1 | LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |
| WO-1991002779-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-07 | — | — | WO | disclosed |
| EP-0125563-B1 | BICYCLOHEXYL ETHANES | MERCK PATENT GmbH (DE) | 1987-05-27 | — | — | EP | disclosed |
| EP-0125563-A2 | Bicyclohexyl ethanes | MERCK PATENT GmbH (DE) | 1984-11-21 | — | — | EP | disclosed |