Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.66 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL5554168 | 0.86 | ALDH1A1 (0.53) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL5554175 | 0.86 | ALDH1A1 (0.53) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL715946 | 0.84 | ALDH1A1 (0.74) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL1877387 | 0.84 | ABCG2 (0.68) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL1877390 | 0.84 | ABCG2 (0.68) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL290189 | 0.84 | ALDH1A1 (0.74) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL1881669 | 0.82 | ABCG2 (0.66) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL1881666 | 0.82 | ABCG2 (0.66) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 | |
| SCHEMBL4446391 | 0.81 | ABCG2 (0.73) | ABCG2MAOAAURKAALDH1A1CHRNA7 | |
| SCHEMBL26445244 | 0.81 | ABCG2 (0.64) | ABCG2MAOAAURKAALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017023912-A1 | 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-02-09 | — | — | WO | disclosed |
| EP-1539675-A4 | ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF | UNIV TEMPLE (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1539675-A2 | ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF | Temple University of the Commonwealth System of Higher Education (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004037751-A2 | ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2004-05-06 | — | — | WO | disclosed |