Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11104871 | 0.79 | KDM4E (0.53) | ALDH1A1GAAKDM4EHPGDPKM | |
| SCHEMBL11090304 | 0.79 | GSK3B (0.51) | KDM4EHPGDCYP1A2CYP2C19 | |
| SCHEMBL11117023 | 0.73 | GAA (0.42) | ALDH1A1GAAKDM4EHPGDPKM | |
| SCHEMBL6246454 | 0.72 | SENP1 (0.56) | GAASENP1ESR1ESR2 | |
| SCHEMBL7338278 | 0.70 | ESR1 (0.42) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL11119211 | 0.70 | KMT2A (0.56) | ALDH1A1KDM4EHPGDCYP1A2 | |
| Water SCHEMBL11499545 | 0.70 | SENP1 (0.54) | GAASENP1ESR1ESR2 | |
| SCHEMBL2846017 | 0.70 | SENP1 (0.54) | ALDH1A1GAASENP1GFERESR1 | |
| SCHEMBL7639582 | 0.69 | SENP1 (0.48) | ALDH1A1GAASENP1MAPTESR1 | |
| SCHEMBL7809088 | 0.69 | SENP1 (0.52) | GAASENP1MAPTCYP1A2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0109628-A1 | 2(1H)-pyridinones and preparation, useful as cardiotonics | STERLING DRUG INC. (US) | 1984-05-30 | — | — | EP | disclosed |