Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL2270408 | 0.81 | ALDH1A1 (0.75) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7278886 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL10683911 | 0.81 | ALDH1A1 (0.75) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7278897 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7279752 | 0.80 | ALDH1A1 (0.54) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7279764 | 0.80 | ALDH1A1 (0.54) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7280569 | 0.80 | CYP1A2 (0.53) | CYP1A2ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7280561 | 0.80 | CYP1A2 (0.53) | CYP1A2ALDH1A1ADORA2AADORA1 | |
| SCHEMBL22399280 | 0.76 | CYP1A2 (0.76) | CYP1A2CYP2D6MAPK1ADORA2AADORA1 | |
| SCHEMBL12498653 | 0.74 | CYP1A2 (0.78) | CYP1A2CYP2D6MAPK1ADORA2AADORA1 |
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-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-0048159-A2 | Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents | UNIVERSITY OF MIAMI (US) | 1982-03-24 | — | — | EP | disclosed |