Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1C | Q14123 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11742268 | 0.93 | ADORA3 (0.55) | PDE1CKDM4EGAATSHRHSD17B10 | |
| SCHEMBL9765706 | 0.89 | NR3C2 (0.51) | PDE1CKDM4EGAATSHRHSD17B10 | |
| SCHEMBL6951436 | 0.87 | KDM4E (0.46) | PDE1CKDM4EGAAALDH1A1MAPT | |
| SCHEMBL10642720 | 0.86 | KDM4E (0.47) | PDE1CKDM4EGAATSHRHSD17B10 | |
| SCHEMBL7164240 | 0.85 | KDM4E (0.54) | PDE1CKDM4EGAATSHRHSD17B10 | |
| SCHEMBL7158453 | 0.85 | ADORA3 (0.55) | KDM4EGAATSHRHSD17B10ALDH1A1 | |
| SCHEMBL7381384 | 0.83 | ADORA3 (0.46) | KDM4EGAATSHRHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7380766 | 0.82 | ADORA3 (0.46) | KDM4EGAATSHRHSD17B10ALDH1A1 | |
| SCHEMBL7158466 | 0.81 | ADORA3 (0.64) | KDM4EGAATSHRHSD17B10ALDH1A1 | |
| SCHEMBL11859054 | 0.81 | ADORA3 (0.51) | KDM4EGAATSHRHSD17B10ALDH1A1 |
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 |