Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.45 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9160287 | 1.00 | SPHK1 (0.45) | SPHK1SPHK2CYP2C9MAPTMEN1 | |
| SCHEMBL9159314 | 0.96 | SPHK1 (0.47) | SPHK1SPHK2CYP2C9MAPTMEN1 | |
| SCHEMBL9159305 | 0.96 | SPHK1 (0.47) | SPHK1SPHK2CYP2C9MAPTMEN1 | |
| SCHEMBL9157474 | 0.95 | SPHK1 (0.49) | SPHK1SPHK2CYP2C9MAPTALDH1A1 | |
| SCHEMBL9157466 | 0.95 | SPHK1 (0.49) | SPHK1SPHK2CYP2C9MAPTALDH1A1 | |
| SCHEMBL9154858 | 0.92 | CYP2C9 (0.46) | SPHK1SPHK2CYP2C9MAPTMEN1 | |
| SCHEMBL9154865 | 0.92 | CYP2C9 (0.46) | SPHK1SPHK2CYP2C9MAPTMEN1 | |
| SCHEMBL9155630 | 0.87 | SPHK1 (0.40) | SPHK1SPHK2 | |
| SCHEMBL9155626 | 0.87 | SPHK1 (0.40) | SPHK1SPHK2 | |
| SCHEMBL9155950 | 0.87 | KMT2A (0.37) | CYP2C9MAPTMEN1MAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |