Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.68 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.68 |
| ▸ | HTR2B | P41595 | 3/20 | 0.68 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.68 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.68 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.68 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.68 |
| ▸ | DRD1 | P21728 | 3/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.68 |
| ▸ | SCN1A | P35498 | 2/20 | 0.68 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.68 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.68 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434487 | 0.93 | CYP1A2 (0.57) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL7158381 | 0.92 | ADORA3 (0.80) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL7438852 | 0.91 | CYP1A2 (0.55) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL7434261 | 0.91 | CYP2C9 (0.55) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL6727785 | 0.88 | CACNA1D (0.72) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL10909420 | 0.86 | ADORA3 (0.77) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL7431523 | 0.86 | TBXA2R (0.54) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL7425671 | 0.85 | CYP1A2 (0.69) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL7430547 | 0.85 | TBXA2R (0.56) | ADORA3CACNA1COPRM1KCNH2ABCB11 | |
| SCHEMBL11824944 | 0.85 | CYP1A2 (0.82) | ADORA3CACNA1COPRM1KCNH2ABCB11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | claimed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |