Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 6/20 | 0.38 |
| ▸ | MMP3 | P08254 | 6/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.35 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL5903651 | 0.86 | GSK3B (0.38) | PPARG | |
| SCHEMBL14429618 | 0.83 | MMP1 (0.44) | MMP1MMP3ITGB3ITGA2BACE | |
| SCHEMBL7346956 | 0.82 | ACE (0.47) | ITGB3ITGA2BACECASP1CASP8 | |
| SCHEMBL7346961 | 0.82 | ACE (0.47) | ITGB3ITGA2BACECASP1CASP8 | |
| SCHEMBL14170758 | 0.82 | MMP1 (0.39) | MMP1MMP3CASP1CASP8 | |
| SCHEMBL14603123 | 0.78 | MMP1 (0.47) | MMP1MMP3ITGB3ITGA2BACE | |
| SCHEMBL15198795 | 0.77 | MMP1 (0.39) | MMP1MMP3ITGB3ITGA2BDPP4 | |
| SCHEMBL12525648 | 0.77 | MMP1 (0.52) | MMP1MMP3ITGB3ITGA2BACE | |
| SCHEMBL12495091 | 0.77 | MMP1 (0.52) | MMP1MMP3ITGB3ITGA2BACE | |
| SCHEMBL10833244 | 0.75 | F2 (0.42) | MMP1MMP3CASP1CASP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-4594341-A | Hypotensive agent | MERCK & CO., INC. (US) | 1986-06-10 | — | — | US | disclosed |
| EP-0068173-B1 | PERHYDRO-1,4-THIAZEPIN-5-ONE AND PERHYDRO-1,4-THIAZOCIN-5-ONE DERIVATIVES, PROCESS FOR PREPARING AND PHARMCEUTICAL COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1984-09-26 | — | — | EP | disclosed |
| EP-0068173-A1 | Perhydro-1,4-thiazepin-5-one and perhydro-1,4-thiazocin-5-one derivatives, process for preparing and pharmceutical composition containing the same | MERCK & CO. INC. (US) | 1983-01-05 | — | — | EP | disclosed |