Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Mesudipine SCHEMBL1900480 | 0.95 | KDM4E (0.60) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL9765777 | 0.91 | KDM4E (0.59) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL7430107 | 0.87 | KDM4E (0.51) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL11364576 | 0.78 | KDM4E (0.41) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL7266705 | 0.78 | KDM4E (0.90) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL9765762 | 0.77 | KDM4E (0.68) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL10555153 | 0.77 | KDM4E (0.64) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL7273568 | 0.76 | CYP2C9 (0.67) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL11356558 | 0.76 | KDM4E (0.41) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 | |
| SCHEMBL9833019 | 0.76 | CACNA1C (0.64) | KDM4EHSD17B10CASP1CACNA1CALDH1A1 |
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 |