Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CPA1 | P15085 | 6/20 | 0.47 |
| ▸ | CPA3 | P15088 | 3/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.46 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.46 |
| ▸ | REN | P00797 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9445001 | 1.00 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9445007 | 1.00 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7273127 | 0.99 | CYP1A2 (0.54) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7273137 | 0.99 | CYP1A2 (0.54) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9444947 | 0.84 | L3MBTL1 (0.46) | ITGB1ITGA4REN | |
| SCHEMBL9444940 | 0.84 | L3MBTL1 (0.46) | ITGB1ITGA4REN | |
| SCHEMBL9444944 | 0.84 | L3MBTL1 (0.46) | ITGB1ITGA4REN | |
| SCHEMBL7382334 | 0.84 | CYP1A2 (0.47) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7301076 | 0.84 | CYP1A2 (0.47) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7079165 | 0.82 | MMP2 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5204357-A | RENIN-INHIBITING AMINO ACID DERIVATIVES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |
| US-5039664-A | Hypotensive agent | MERCK & CO., INC. (US) | 1991-08-13 | — | — | US | disclosed |
| US-5037807-A | Hypotensive agents; for treatment of congestive heart failure | MERCK & CO., INC. (US) | 1991-08-06 | — | — | US | disclosed |
| EP-0329013-A2 | Renin-inhibiting amino acid derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-23 | — | — | EP | disclosed |
| US-4839357-A | TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE | MERCK & CO., INC. (US) | 1989-06-13 | — | — | US | disclosed |
| EP-0278158-A2 | Renin inhibitors containing phenylalanyl-histidine replacements | MERCK & CO. INC. (US) | 1988-08-17 | — | — | EP | disclosed |