Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9664439 | 1.00 | RARB (0.36) | RARBCYP3A4CYP2C9FASNSPHK1 | |
| SCHEMBL9664446 | 1.00 | RARB (0.36) | RARBCYP3A4CYP2C9FASNSPHK1 | |
| SCHEMBL7907275 | 0.94 | RARB (0.40) | RARBCYP3A4CYP2C9FASNSPHK1 | |
| SCHEMBL7907282 | 0.94 | RARB (0.40) | RARBCYP3A4CYP2C9FASNSPHK1 | |
| SCHEMBL9665276 | 0.90 | RARB (0.43) | RARBCYP3A4CYP2C9FASNSPHK1 | |
| SCHEMBL9662994 | 0.87 | RARB (0.41) | RARBCYP3A4CYP2C9FASNSPHK1 | |
| SCHEMBL16258050 | 0.87 | CYP2C9 (0.39) | RARBCYP3A4CYP2C9SPHK1APP | |
| SCHEMBL2604712 | 0.87 | CYP2C9 (0.39) | RARBCYP3A4CYP2C9SPHK1APP | |
| SCHEMBL16117388 | 0.87 | CYP2C9 (0.39) | RARBCYP3A4CYP2C9SPHK1APP | |
| SCHEMBL8407315 | 0.87 | CYP2C9 (0.41) | RARBCYP3A4CYP2C9SPHK1APP |
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 |
|---|---|---|---|---|---|---|---|
| US-5093026-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0407569-A1 | DIPHENYLETHANES | MERCK PATENT GmbH (DE) | 1991-01-16 | — | — | EP | disclosed |
| WO-1990008756-A1 | DIPHENYLETHANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |