Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.72 |
| ▸ | CACNA1C | Q13936 | 7/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.69 |
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.69 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.69 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.69 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.69 |
| ▸ | MLNR | O43193 | 1/20 | 0.69 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL10823937 | 0.86 | MAPT (0.75) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4797073 | 0.86 | CYP1A2 (0.92) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| Nisoldipine SCHEMBL6716326 | 0.84 | CACNA1C (0.71) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7343628 | 0.84 | CYP2C9 (0.80) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9187081 | 0.84 | MAPT (1.00) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29600293 | 0.84 | MAPT (1.00) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10823956 | 0.83 | CYP1A2 (0.75) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| Isradipine SCHEMBL1172992 | 0.82 | CYP2C9 (1.00) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10924747 | 0.82 | CYP1A2 (0.84) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 | |
| (R)-Isradipine SCHEMBL34556 | 0.82 | CYP2C9 (1.00) | MAPTCACNA1CCYP1A2CYP3A4CYP2C9 |
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-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |