Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27647539 | 0.79 | ALOX5 (0.47) | ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19 | |
| SCHEMBL30826559 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL21217295 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17101272 | 0.77 | ACP3 (0.42) | ALDH1A1KDM4EHPGDCYP1A2LMNA | |
| Acetic Acid SCHEMBL7515736 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL448107 | 0.75 | AKR1B1 (0.51) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL8120419 | 0.75 | AKR1B1 (0.51) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL15641295 | 0.75 | AKR1B1 (0.51) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL28241058 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL15695555 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19HPGDHTT |
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-0438873-A1 | Inhibitor of ribonucleotide reductase of herpes viruses | MERCK & CO. INC. (US) | 1991-07-31 | — | — | EP | disclosed |