Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nifedipine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C known ✓ | Q13936 | 6/20 | 0.90 |
| ▸ | CACNA1F known ✓ | O60840 | 2/20 | 0.90 |
| ▸ | CACNA1D known ✓ | Q01668 | 2/20 | 0.90 |
| ▸ | CACNA1S known ✓ | Q13698 | 2/20 | 0.90 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.90 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.90 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.90 |
| ▸ | MAPT | P10636 | 4/20 | 0.90 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.90 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.90 |
| ▸ | TSHR | P16473 | 3/20 | 0.90 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.90 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.90 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.90 |
| ▸ | LMNA | P02545 | 2/20 | 0.90 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.90 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.90 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.90 |
| ▸ | SCN1A | P35498 | 2/20 | 0.90 |
| ▸ | HTR2B | P41595 | 2/20 | 0.90 |
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 | |
|---|---|---|---|---|
| SCHEMBL719056 | 1.00 | ADORA3 (0.90) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL29349595 | 0.95 | ADORA3 (1.00) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL3968 | 0.95 | ADORA3 (1.00) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL1172946 | 0.95 | ADORA3 (1.00) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL28674741 | 0.94 | ADORA3 (0.93) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL5694031 | 0.94 | ADORA3 (0.97) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL8851397 | 0.94 | ADORA3 (0.97) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL3858071 | 0.94 | ADORA3 (0.97) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL8851402 | 0.94 | ADORA3 (0.97) | ADORA3CACNA1CCYP1A2CYP3A4MAPT | |
| Nifedipine SCHEMBL27961697 | 0.94 | ADORA3 (0.97) | ADORA3CACNA1CCYP1A2CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20090048175-A1 | AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS | SYNERGY PHARMACEUTICALS, INC. (US) | 2009-02-19 | — | — | US | disclosed |