Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3211252 | 0.75 | ADORA1 (0.57) | ADORA1ADORA3ADORA2API4KAPI4K2B | |
| SCHEMBL9137080 | 0.74 | ADORA1 (0.38) | ADORA1ADORA3ADORA2ACCNA2CDK2 | |
| SCHEMBL21305258 | 0.73 | ADORA1 (0.50) | ADORA1ADORA3ADORA2API4KAPI4K2B | |
| SCHEMBL9406903 | 0.70 | PI4KA (0.44) | ADORA1ADORA3ADORA2API4KAPI4K2B | |
| SCHEMBL5091129 | 0.69 | ADORA1 (1.00) | ADORA1ADORA3ADORA2ADDAH1NOS3 | |
| SCHEMBL9847095 | 0.69 | ADORA1 (0.46) | ADORA1ADORA3ADORA2ADDAH1GAA | |
| SCHEMBL23178669 | 0.69 | ADORA1 (0.40) | ADORA1ADORA3ADORA2API4KAPI4K2B | |
| SCHEMBL9406713 | 0.68 | ADORA1 (0.41) | ADORA1ADORA3ADORA2API4KAPI4K2B | |
| SCHEMBL9406510 | 0.68 | PI4KA (0.52) | ADORA3ADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL31569181 | 0.68 | KDM4E (0.41) | ADORA1PI4KAPI4K2BPI4K2API4KB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0517812-A4 | ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO INC (US) | 1995-10-18 | — | — | EP | disclosed |
| EP-0517812-A1 | ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO. INC. (US) | 1992-12-16 | — | — | EP | disclosed |
| EP-0456510-A1 | Antihypertensive products, a process for their preparation and pharamaceutical compositions containing them | MERCK & CO. INC. (US) | 1991-11-13 | — | — | EP | disclosed |