Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 3/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6559981 | 0.85 | PDE5A (0.48) | KDM4EALDH1A1POLBMAPTNR1H2 | |
| SCHEMBL6559983 | 0.80 | MAOB (0.43) | KDM4EALDH1A1POLBMAPTPDE5A | |
| SCHEMBL11472767 | 0.78 | ALDH1A1 (0.51) | KDM4EALDH1A1POLBMAPTCA9 | |
| SCHEMBL10972035 | 0.76 | PDE5A (0.52) | KDM4EALDH1A1POLBMAPTPDE5A | |
| SCHEMBL6561597 | 0.75 | ALDH1A1 (0.51) | KDM4EALDH1A1POLBMAOB | |
| SCHEMBL13068762 | 0.75 | NR1H2 (0.69) | KDM4EALDH1A1MAPTNR1H2NR1H3 | |
| SCHEMBL10975462 | 0.74 | PDE5A (0.51) | KDM4EALDH1A1POLBMAPTPDE5A | |
| SCHEMBL10972521 | 0.74 | PDE5A (0.55) | MAPTPDE5A | |
| SCHEMBL9118750 | 0.74 | MAOB (0.47) | PDE5AMAOAMAOB | |
| SCHEMBL11043259 | 0.74 | PDE5A (0.52) | KDM4EALDH1A1POLBMAPTPDE5A |
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 |