Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL9159305 | 1.00 | SPHK1 (0.47) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9157474 | 0.99 | SPHK1 (0.49) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9157466 | 0.99 | SPHK1 (0.49) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9160296 | 0.96 | SPHK1 (0.45) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9160287 | 0.96 | SPHK1 (0.45) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9154858 | 0.91 | CYP2C9 (0.46) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9154865 | 0.91 | CYP2C9 (0.46) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9157238 | 0.87 | MAPT (0.40) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9157975 | 0.87 | MEN1 (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9157248 | 0.87 | MAPT (0.40) | SPHK1SPHK2CYP2C9ALDH1A1LMNA |
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 |
| EP-0445248-A1 | PYRIDINE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |