Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18774916 | 0.84 | ALDH1A1 (0.41) | ALDH1A1PTGS1MAPTGRM2MEN1 | |
| SCHEMBL10681097 | 0.84 | ALDH1A1 (0.41) | ALDH1A1PTGS1MAPTGRM2MEN1 | |
| SCHEMBL18774919 | 0.84 | ALDH1A1 (0.41) | ALDH1A1PTGS1MAPTGRM2MEN1 | |
| SCHEMBL18774915 | 0.80 | ALDH1A1 (0.48) | ALDH1A1PTGS1MAPTSLC7A5 | |
| SCHEMBL18774910 | 0.80 | ALDH1A1 (0.48) | ALDH1A1PTGS1MAPTSLC7A5 | |
| SCHEMBL18774926 | 0.79 | ALDH1A1 (0.52) | ALDH1A1PTGS1MAPTGRM2MEN1 | |
| SCHEMBL24489346 | 0.78 | PTGS1 (0.44) | ALDH1A1PTGS1MAPTSLC7A5SLC7A11 | |
| SCHEMBL17414698 | 0.78 | PTGS1 (0.44) | ALDH1A1PTGS1MAPTSLC7A5SLC7A11 | |
| SCHEMBL166753 | 0.77 | — | — | |
| SCHEMBL202704 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4766110-A | INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS | RYAN JAMES W (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0073143-B1 | NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES | Ryan, James Walter (US) | 1985-11-21 | — | — | EP | disclosed |
| EP-0073143-A2 | Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides | Ryan, James Walter (US) | 1983-03-02 | — | — | EP | disclosed |
| EP-0048159-A2 | Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents | UNIVERSITY OF MIAMI (US) | 1982-03-24 | — | — | EP | disclosed |