Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 15/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10792055 | 1.00 | ACE (0.63) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL10793285 | 0.95 | ACE (0.57) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL10798072 | 0.95 | ACE (0.57) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL10793279 | 0.95 | ACE (0.57) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL10793326 | 0.95 | ACE (0.57) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL10896161 | 0.94 | ACE (0.57) | ACEABCB11AGTR2PDE3ATDP1 | |
| SCHEMBL10795517 | 0.93 | ACE (0.62) | ACE | |
| SCHEMBL10795121 | 0.93 | ACE (0.62) | ACE | |
| SCHEMBL10792453 | 0.93 | ACE (0.62) | ACE | |
| SCHEMBL10795124 | 0.93 | ACE (0.62) | ACE |
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-4680392-A | Substituted caprolactam derivatives as antihypertensives | MERCK & CO., INC. (US) | 1987-07-14 | — | — | US | disclosed |
| US-4629787-A | ANGIOTENSIN CONVERTING ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1986-12-16 | — | — | US | disclosed |
| EP-0046291-B1 | SUBSTITUTED CAPROLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES | MERCK & CO. INC. (US) | 1985-12-27 | — | — | EP | disclosed |