Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.81 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.81 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.81 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.81 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.81 |
| ▸ | TSHR | P16473 | 3/20 | 0.81 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.81 |
| ▸ | HPGD | P15428 | 3/20 | 0.81 |
| ▸ | MAPT | P10636 | 3/20 | 0.81 |
| ▸ | MEN1 | O00255 | 2/20 | 0.81 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL11187877 | 0.91 | CYP2C9 (0.74) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL7283648 | 0.91 | CYP2C9 (0.81) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL9485314 | 0.91 | CYP2C9 (0.81) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL10823894 | 0.90 | CYP2C9 (0.79) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| Felodipine SCHEMBL28260282 | 0.90 | CYP2C9 (0.95) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| (R)-Felodipine SCHEMBL54486 | 0.90 | CYP2C9 (1.00) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| Felodipine SCHEMBL13460298 | 0.90 | CYP2C9 (1.00) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| (R)-Felodipine SCHEMBL29617765 | 0.90 | CYP2C9 (1.00) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| Felodipine SCHEMBL920025 | 0.90 | CYP2C9 (1.00) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| Felodipine SCHEMBL26398 | 0.90 | CYP2C9 (1.00) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5658934-A | Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |
| EP-0371492-B1 | Process for the preparation of 1,4-dihydropyridine derivatives | NISSHIN FLOUR MILLING CO (JP) | 1995-06-21 | — | — | EP | disclosed |
| EP-0371492-A2 | Process for the preparation of 1,4-dihydropyridine derivatives | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1990-06-06 | — | — | EP | disclosed |