Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3802542 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL2684585 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| Water SCHEMBL27669911 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HPGDKMT2ALMNA | |
| SCHEMBL3792041 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL1930157 | 0.73 | MCL1 (0.43) | ALDH1A1HPGDKMT2ALMNAMEN1 | |
| SCHEMBL8149938 | 0.73 | ALDH1A1 (0.37) | ALDH1A1CYP3A4HPGDKMT2ALMNA | |
| SCHEMBL29216006 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HPGDKMT2ALMNA | |
| SCHEMBL9715396 | 0.71 | NFKB1 (0.44) | ALDH1A1HPGDKMT2ALMNAMEN1 | |
| SCHEMBL7962149 | 0.68 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL4889955 | 0.68 | TYMP (0.47) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445239-A4 | ANTI-MALARIAL COMPOSITION AND METHOD OF USE | — | 1992-03-25 | — | — | EP | claimed |
| EP-0445239-A1 | ANTI-MALARIAL COMPOSITION AND METHOD OF USE | THE CATHOLIC UNIVERSITY OF AMERICA (US) | 1991-09-11 | — | — | EP | claimed |
| WO-1991000081-A2 | ANTI-MALARIAL COMPOSITION AND METHOD OF USE | THE CATHOLIC UNIVERSITY OF AMERICA (US) | 1991-01-10 | — | — | WO | claimed |