Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.75 |
| ▸ | MAPT | P10636 | 6/20 | 0.75 |
| ▸ | MEN1 | O00255 | 6/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.75 |
| ▸ | LMNA | P02545 | 6/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.75 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.75 |
| ▸ | TSHR | P16473 | 4/20 | 0.75 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.75 |
| ▸ | THPO | P40225 | 3/20 | 0.75 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.75 |
| ▸ | POLB | P06746 | 1/20 | 0.75 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.75 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.73 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.73 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.73 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL9765708 | 0.95 | MAPT (0.74) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7274713 | 0.95 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10748200 | 0.93 | CACNA1C (0.85) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10565644 | 0.93 | MEN1 (0.72) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10746223 | 0.91 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10686790 | 0.91 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL9765747 | 0.91 | MEN1 (0.81) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10681742 | 0.90 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10566134 | 0.90 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10721453 | 0.90 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT |
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 |