Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 4/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7271581 | 1.00 | CCNE1 (0.44) | CCNE1CDK2ALDH1A1CYP2C19CDK1 | |
| SCHEMBL29975767 | 0.86 | ALDH1A1 (0.44) | CCNE1CDK2ALDH1A1CYP2C19CDK1 | |
| SCHEMBL21853761 | 0.86 | ALDH1A1 (0.44) | CCNE1CDK2ALDH1A1CYP2C19CDK1 | |
| SCHEMBL21853756 | 0.86 | ALDH1A1 (0.44) | CCNE1CDK2ALDH1A1CYP2C19CDK1 | |
| SCHEMBL7272071 | 0.85 | CCNE1 (0.43) | CCNE1CDK2ALDH1A1CYP2C19CDK1 | |
| SCHEMBL7272082 | 0.85 | CCNE1 (0.43) | CCNE1CDK2ALDH1A1CYP2C19CDK1 | |
| SCHEMBL7278897 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ADORA2AADORA1 | |
| SCHEMBL7278886 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ADORA2AADORA1 | |
| SCHEMBL28187282 | 0.76 | PNP (0.58) | ALDH1A1CYP3A4HIF1A | |
| SCHEMBL25875455 | 0.76 | CYP2C19 (0.50) | CCNE1CDK2CYP2C19CDK1CCNB1 |
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 |