Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272909 | 0.88 | KDM4E (0.41) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7272930 | 0.85 | KMT2A (0.45) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7271644 | 0.85 | KMT2A (0.42) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10999342 | 0.85 | KDM4E (0.62) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10787092 | 0.84 | KDM4E (0.58) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7263816 | 0.83 | CYP2C9 (0.45) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7271627 | 0.81 | CYP2C9 (0.47) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7263842 | 0.80 | CYP2C9 (0.47) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10373547 | 0.80 | KDM4E (0.54) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10643056 | 0.79 | ADORA3 (0.65) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0116708-A1 | Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals | CASSELLA Aktiengesellschaft (DE) | 1984-08-29 | — | — | EP | disclosed |