Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.60 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.60 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | MLNR | O43193 | 1/20 | 0.60 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401552 | 0.88 | KDM4E (0.54) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11826599 | 0.86 | ADORA3 (0.60) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11376558 | 0.83 | NR3C2 (0.52) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11365585 | 0.81 | NR3C2 (0.42) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL9434406 | 0.81 | KDM4E (0.58) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11828335 | 0.80 | KDM4E (0.51) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11774395 | 0.80 | SMN1; SMN2 (0.41) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11525325 | 0.79 | NR3C2 (0.50) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL7160381 | 0.78 | KDM4E (0.83) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 | |
| SCHEMBL11004140 | 0.77 | CACNA1C (0.72) | CYP1A2CACNA1CADORA3CYP3A4CYP2C9 |
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-4988717-A | Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4849433-A | The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-18 | — | — | US | disclosed |
| US-4510310-A | 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-09 | — | — | US | disclosed |