Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7271627 | 0.91 | CYP2C9 (0.47) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL7271866 | 0.91 | CYP2C9 (0.46) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL7265522 | 0.90 | CYP2C9 (0.42) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL7271815 | 0.89 | MAPK1 (0.36) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL10999558 | 0.89 | KDM4E (0.56) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL7265647 | 0.85 | KMT2A (0.35) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL7270521 | 0.85 | KMT2A (0.35) | CYP2C9KDM4EADRA1AMEN1CYP1A2 | |
| SCHEMBL7264418 | 0.84 | KDM4E (0.33) | KDM4EMEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL7263842 | 0.84 | CYP2C9 (0.47) | CYP2C9KDM4EABCB11TBXA2RADRA1A | |
| SCHEMBL7265650 | 0.84 | ABCC1 (0.32) | CYP2C9KDM4ECYP3A4CYP2C19ALDH1A1 |
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 |