Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.65 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.65 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.65 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.65 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.65 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL9505372 | 0.91 | CYP2C9 (0.61) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL7343428 | 0.91 | CYP2C9 (0.77) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL9501234 | 0.90 | CYP2C9 (0.82) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL10912838 | 0.87 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL7433602 | 0.87 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL10914974 | 0.87 | CYP2C9 (0.71) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| Darodipine SCHEMBL44696 | 0.87 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL10629630 | 0.86 | CYP2C9 (0.70) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL4801736 | 0.85 | CYP2C9 (0.85) | CYP2C9CYP3A4CYP1A2CYP2C19TBXA2R | |
| SCHEMBL9501356 | 0.85 | NR3C2 (0.54) | — |
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-0458823-B1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1993-10-13 | — | — | EP | disclosed |
| US-5245039-A | PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-09-14 | — | — | US | disclosed |