Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 9/20 | 0.82 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.82 |
| ▸ | LMNA | P02545 | 3/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.82 |
| ▸ | TSHR | P16473 | 2/20 | 0.82 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.82 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.82 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.82 |
| ▸ | NPC1 | O15118 | 1/20 | 0.82 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.82 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.82 |
| ▸ | PGR | P06401 | 1/20 | 0.82 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.82 |
| ▸ | HTR1A | P08908 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10554411 | 0.93 | LMNA (0.93) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| SCHEMBL8215921 | 0.91 | CACNA1C (0.89) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| SCHEMBL11844936 | 0.91 | CACNA1C (0.89) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| SCHEMBL9765743 | 0.91 | CACNA1C (0.89) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| Nicardipine SCHEMBL4309716 | 0.90 | CYP1A2 (0.98) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| Nicardipine SCHEMBL4309711 | 0.90 | CYP1A2 (0.98) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| Nicardipine SCHEMBL34278 | 0.90 | CYP1A2 (1.00) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| Nicardipine SCHEMBL34279 | 0.90 | CYP1A2 (1.00) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| SCHEMBL11841273 | 0.90 | CACNA1C (0.87) | CACNA1CADORA3LMNACYP1A2CYP3A4 | |
| SCHEMBL10747615 | 0.90 | CACNA1C (0.87) | CACNA1CADORA3LMNACYP1A2CYP3A4 |
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-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |
| US-4483985-A | ALKALINE HYDROLYSIS OF ESTER GROUP | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-20 | — | — | US | disclosed |
| US-4285955-A | CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-25 | — | — | US | disclosed |