Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL596327 | 1.00 | TSHR (0.58) | TSHRKMT2AL3MBTL1HTTACE | |
| SCHEMBL948880 | 0.98 | TSHR (0.60) | TSHRKMT2AL3MBTL1HTTACE | |
| SCHEMBL948990 | 0.92 | TSHR (0.68) | TSHRKMT2AHTTACEBLM | |
| SCHEMBL21958786 | 0.90 | TSHR (0.49) | TSHRKMT2AL3MBTL1HTTACE | |
| SCHEMBL43400 | 0.83 | — | — | |
| SCHEMBL6361223 | 0.83 | TSHR (0.50) | TSHRKMT2AHTTACEALDH1A1 | |
| SCHEMBL12554864 | 0.82 | TSHR (0.56) | TSHRKMT2AL3MBTL1HTTBLM | |
| SCHEMBL1532937 | 0.82 | TSHR (0.85) | TSHRKMT2AL3MBTL1HTTBLM | |
| SCHEMBL14828748 | 0.81 | KMT2A (0.53) | TSHRKMT2AL3MBTL1HTTBLM | |
| SCHEMBL24263535 | 0.80 | TSHR (0.89) | TSHRKMT2AL3MBTL1HTTBLM |
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-0049842-B1 | SUBSTITUTED ENANTHOLACTAM DERIVATIVES, A PROCESS FOR THE PREPARATION AND A PHARMACEUTICAL COMPOSITION USEFUL IN THE TREATMENT OF HYPERTENSION COMPRISING THE SAME, AND INTERMEDIATES | MERCK & CO. INC. (US) | 1985-08-28 | — | — | EP | disclosed |
| US-4396616-A | DIURETICS, ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1983-08-02 | — | — | US | disclosed |
| EP-0049842-A2 | Substituted enantholactam derivatives, a process for the preparation and a pharmaceutical composition useful in the treatment of hypertension comprising the same, and intermediates | MERCK & CO. INC. (US) | 1982-04-21 | — | — | EP | disclosed |