Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 11/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946916 | 0.88 | CYP2C9 (0.56) | CACNA1BCYP2C9KDM4ECYP3A4CYP2C19 | |
| SCHEMBL7267278 | 0.86 | CYP2C9 (0.57) | CACNA1BCYP2C9KDM4ECYP3A4CYP2C19 | |
| SCHEMBL3034990 | 0.84 | ABCC1 (0.67) | CYP2C9KDM4ECYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL7275488 | 0.82 | CACNA1B (0.76) | CACNA1BCYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL7275334 | 0.82 | CYP2C9 (0.70) | CACNA1BCYP2C9KDM4ECYP3A4CYP2C19 | |
| SCHEMBL3032376 | 0.81 | CYP2C9 (0.61) | CYP2C9KDM4ECYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6945482 | 0.80 | CACNA1B (0.48) | CACNA1BCYP2C9KDM4ECYP3A4CYP2C19 | |
| SCHEMBL9281053 | 0.78 | CYP2C9 (0.56) | CYP2C9KDM4ECYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL11777899 | 0.78 | CYP2C9 (0.67) | CYP2C9KDM4ECYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6949651 | 0.78 | CYP2C9 (0.53) | CACNA1BCYP2C9KDM4ECYP3A4CYP2C19 |
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-0657432-B1 | Phenyl-substituted 1,4-dihydropyridines with cerebral activity | BAYER AG (DE) | 2003-03-12 | — | — | EP | claimed |