Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 5/20 | 0.40 |
| ▸ | CASP6 | P55212 | 4/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13154528 | 0.73 | NPSR1 (0.44) | ALDH1A1CA12CA4CA7CA9 | |
| SCHEMBL29382911 | 0.70 | ALDH1A1 (0.57) | ALDH1A1POLBMAPK1KMT2ALPAR1 | |
| SCHEMBL631133 | 0.70 | ALDH1A1 (0.57) | ALDH1A1POLBMAPK1KMT2ALPAR1 | |
| SCHEMBL13154538 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CA12CA4CA7CA9 | |
| SCHEMBL12666623 | 0.70 | ALDH1A1 (0.66) | ALDH1A1POLBMAPK1KMT2ALPAR1 | |
| SCHEMBL6404409 | 0.69 | KDM4E (0.49) | ALDH1A1POLBMAPK1KMT2AGAA | |
| SCHEMBL24814123 | 0.69 | CYP2D6 (0.70) | POLBKMT2AMMP8 | |
| SCHEMBL13154540 | 0.68 | RBP4 (0.53) | ALDH1A1CA12CA4CA7CA9 | |
| SCHEMBL13159623 | 0.67 | IDO1 (0.44) | ALDH1A1POLBKMT2AGAATHRB | |
| SCHEMBL9731660 | 0.67 | CYP2D6 (0.40) | ALDH1A1MAPK1KMT2ATHRBMMP8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010119992-A1 | DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-21 | — | — | WO | disclosed |