Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10913481 | 0.83 | CACNA1C (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| SCHEMBL9829134 | 0.79 | CYP2C9 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| Hydrochloric Acid SCHEMBL9504304 | 0.78 | CYP2C9 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| Hydrochloric Acid SCHEMBL9501650 | 0.77 | CACNA1F (0.42) | CACNA1CMAPT | |
| SCHEMBL10912838 | 0.77 | CYP2C9 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| Darodipine SCHEMBL44696 | 0.76 | CYP2C9 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| SCHEMBL9501356 | 0.75 | NR3C2 (0.54) | NR3C2 | |
| SCHEMBL7433602 | 0.75 | CYP2C9 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| SCHEMBL10915068 | 0.75 | CYP2C9 (0.71) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C | |
| SCHEMBL11186934 | 0.74 | CACNA1C (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19CACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0458823-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. | BOEHRINGER MANNHEIM ITALIA (IT) | 1991-12-04 | — | — | EP | disclosed |