Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7384442 | 0.88 | KDM4E (0.53) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL11360797 | 0.86 | CYP3A4 (0.38) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL9765720 | 0.85 | CYP2C9 (0.61) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL7382716 | 0.82 | ALOX15 (0.50) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL7385356 | 0.82 | ALOX15 (0.52) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL9765752 | 0.81 | CYP3A4 (0.51) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL9765712 | 0.81 | ALDH1A1 (0.41) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL7377019 | 0.81 | KDM4E (0.50) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL7384438 | 0.80 | CYP2C9 (0.46) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 | |
| SCHEMBL7375002 | 0.80 | KDM4E (0.49) | CYP2C9CYP3A4KDM4ECYP1A2NR1I2 |
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 |