Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | SLC26A3 | P40879 | 7/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6561528 | 0.80 | KDM4E (0.49) | MAOBKDM4EALDH1A1PDE5APOLB | |
| SCHEMBL6559981 | 0.76 | PDE5A (0.48) | KDM4EALDH1A1HPGDPDE5APOLB | |
| SCHEMBL6561715 | 0.76 | ESR2 (0.50) | KDM4EALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL10972035 | 0.73 | PDE5A (0.52) | KDM4EALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL9118750 | 0.73 | MAOB (0.47) | MAOBPDE5AGAA | |
| SCHEMBL10975462 | 0.72 | PDE5A (0.51) | MAOBKDM4EALDH1A1HPGDPDE5A | |
| SCHEMBL9740626 | 0.71 | ALOX5 (0.45) | MAOBKDM4EALDH1A1HTTHPGD | |
| SCHEMBL10972521 | 0.71 | PDE5A (0.55) | HPGDPDE5AMAPT | |
| SCHEMBL11038374 | 0.70 | PDE5A (0.51) | KDM4EALDH1A1HPGDPDE5APOLB | |
| SCHEMBL9740539 | 0.70 | MAOB (0.47) | MAOBKDM4EALDH1A1HTTHPGD |
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 |