Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 8/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9669889 | 0.82 | HSD17B1 (0.53) | ALOX5ALDH1A1GAACYP3A4CYP1A2 | |
| SCHEMBL3496622 | 0.80 | MKNK1 (0.54) | ALOX5MKNK1MKNK2ALDH1A1KDM4E | |
| SCHEMBL9200850 | 0.75 | CYP2A6 (0.66) | MKNK1MKNK2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL9670005 | 0.75 | CYP3A4 (0.47) | ALOX5MKNK1MKNK2ALDH1A1KDM4E | |
| SCHEMBL3498055 | 0.75 | ALDH1A1 (0.58) | MKNK1MKNK2ALDH1A1KDM4EGAA | |
| SCHEMBL17060261 | 0.75 | CYP2A6 (0.57) | ALDH1A1CYP2A6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL9670338 | 0.74 | KDM4E (0.47) | ALDH1A1KDM4EGAAJAK2JAK3 | |
| SCHEMBL6747700 | 0.72 | CYP2A6 (0.54) | ALOX5MKNK1MKNK2ALDH1A1KDM4E | |
| SCHEMBL5795505 | 0.71 | PDGFRB (0.48) | MKNK1MKNK2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL1491549 | 0.70 | CYP2A6 (0.64) | MKNK1MKNK2ALDH1A1KDM4ECYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0318066-B1 | ARYL-SUBSTITUTED THIOPHENE 3-OLS, DERIVATIVES AND ANALOGS, AS LIPOXYGENASE INHIBITORS | MERCK & CO. INC. (US) | 1992-07-29 | — | — | EP | disclosed |
| EP-0318066-A1 | Aryl-substituted thiophene 3-ols, derivatives and analogs, as lipoxygenase inhibitors | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |