Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nicardipine. 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 | 3/20 | 0.62 |
| ▸ | CACNA1S known ✓ | Q13698 | 2/20 | 0.57 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.57 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.63 |
| ▸ | LMNA | P02545 | 5/20 | 0.63 |
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | BLM | P54132 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | GMNN | O75496 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Nicardipine SCHEMBL9094491 | 0.93 | CYP3A4 (0.55) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Diltiazem SCHEMBL9069266 | 0.92 | CYP3A4 (0.63) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Diltiazem SCHEMBL7859531 | 0.81 | CACNA1S (0.69) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Nicardipine SCHEMBL29190333 | 0.80 | CYP1A2 (0.97) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Nicardipine SCHEMBL1653198 | 0.80 | CYP1A2 (1.00) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Nicardipine SCHEMBL41845 | 0.80 | CYP1A2 (1.00) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Nicardipine SCHEMBL29465066 | 0.80 | CYP1A2 (1.00) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Nicardipine SCHEMBL41846 | 0.80 | CYP1A2 (1.00) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Diltiazem SCHEMBL6789503 | 0.79 | CACNA1S (0.62) | CYP3A4LMNATSHRCYP1A2CYP2D6 | |
| Nicardipine SCHEMBL4309711 | 0.79 | CYP1A2 (0.98) | CYP3A4LMNATSHRCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1799263-A4 | REDUCING ER STRESS IN THE TREATMENT OF OBESITY AND DIABETES | HARVARD COLLEGE (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1799263-A2 | REDUCING ER STRESS IN THE TREATMENT OF OBESITY AND DIABETES | The President and Fellows of Harvard College (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006031931-A2 | REDUCING ER STRESS IN THE TREATMENT OF OBESITY AND DIABETES | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-03-23 | — | — | WO | disclosed |