Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.51 |
| ▸ | HPGD | P15428 | 7/20 | 0.51 |
| ▸ | GAA | P10253 | 6/20 | 0.51 |
| ▸ | GLA | P06280 | 5/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ERAP1 | Q9NZ08 | 5/20 | 0.50 |
| ▸ | CASP1 | P29466 | 4/20 | 0.50 |
| ▸ | CASP7 | P55210 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.46 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1594333 | 0.88 | CSNK2A2 (0.61) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL11079352 | 0.82 | GAA (0.63) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6560136 | 0.82 | KDM4E (0.64) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6559997 | 0.82 | GAA (0.71) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6561714 | 0.82 | KDM4E (0.58) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6559297 | 0.79 | ALDH1A1 (0.34) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL15211319 | 0.78 | MCL1 (0.66) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6561528 | 0.75 | KDM4E (0.49) | ALDH1A1KDM4EPOLBMAOB | |
| SCHEMBL14756049 | 0.75 | GAA (0.70) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6561715 | 0.75 | ESR2 (0.50) | ALDH1A1KDM4EHPGDGAAGLA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |