Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28485747 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CA1CA2CA9KMT2A | |
| SCHEMBL28515842 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CA1CA2CA9KMT2A | |
| SCHEMBL29172776 | 0.83 | ALDH1A1 (0.44) | ALDH1A1KMT2AKEAP1NFE2L2GAA | |
| Toluene SCHEMBL9257721 | 0.83 | CA9 (0.51) | ALDH1A1CA1CA2CA9GAA | |
| SCHEMBL776677 | 0.82 | CA2 (0.61) | ALDH1A1CA1CA2CA9KEAP1 | |
| SCHEMBL2890 | 0.81 | CA9 (0.53) | ALDH1A1CA1CA2CA9KMT2A | |
| SCHEMBL28194907 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CA1CA2CA9KMT2A | |
| SCHEMBL7286478 | 0.81 | CA2 (0.59) | ALDH1A1CA1CA2CA9KEAP1 | |
| SCHEMBL5870558 | 0.81 | IDO1 (0.50) | ALDH1A1CA1CA2CA9GAA | |
| SCHEMBL9030021 | 0.81 | F2 (0.47) | F2 |
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-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 |
| EP-0046291-A2 | Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates | MERCK & CO. INC. (US) | 1982-02-24 | — | — | EP | disclosed |