Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.72 |
| ▸ | CASP1 | P29466 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL7160381 | 0.93 | KDM4E (0.83) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL7160171 | 0.84 | KDM4E (1.00) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL7272456 | 0.84 | KDM4E (0.67) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL7160175 | 0.80 | KDM4E (0.90) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL10748954 | 0.79 | KDM4E (0.67) | KDM4EHSD17B10CASP1ALDH1A1CYP1A2 | |
| SCHEMBL10552935 | 0.79 | KDM4E (0.63) | KDM4EHSD17B10CASP1ALDH1A1GAA | |
| SCHEMBL10763917 | 0.79 | KDM4E (0.77) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL7344600 | 0.78 | KDM4E (0.68) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL7158896 | 0.78 | KDM4E (0.90) | KDM4EHSD17B10CASP1ALDH1A1CASP7 | |
| SCHEMBL7159942 | 0.77 | CYP1A2 (0.58) | KDM4EHSD17B10ALDH1A1GAAHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4146627-A | AMINOALKYLIDEAMINO-1,4-DIHYDROPYRIDINES AND THEIR USE AS MEDICAMENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-03-27 | — | — | US | disclosed |