Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 4/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10781987 | 0.93 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL9691268 | 0.89 | TSHR (0.48) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL10374975 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL9691213 | 0.87 | TSHR (0.44) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL10369690 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL10787486 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL9691465 | 0.84 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL11363017 | 0.83 | KDM4E (0.43) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL10787092 | 0.83 | KDM4E (0.58) | ALDH1A1KDM4EHSD17B10GAAHPGD | |
| SCHEMBL11168595 | 0.83 | TBXA2R (0.47) | ALDH1A1KDM4EHSD17B10GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |