Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1593230 | 0.76 | — | — | |
| SCHEMBL131361 | 0.76 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL9118394 | 0.74 | TSHR (0.43) | TSHR | |
| Bromide SCHEMBL29980639 | 0.73 | ALDH1A1 (0.62) | TRPA1ALDH1A1TSHRCES2CES1 | |
| Trimethylammonium SCHEMBL3792932 | 0.71 | ALDH1A1 (0.53) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL153348 | 0.69 | ALDH1A1 (0.50) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL5734655 | 0.69 | IDO1 (0.52) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL13659091 | 0.69 | TRPA1 (0.50) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL121442 | 0.69 | — | — | |
| SCHEMBL5952745 | 0.69 | CYP2A6 (0.50) | ALDH1A1TSHRCES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5412097-A | Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists | MERCK & CO., INC. (US) | 1995-05-02 | — | — | US | disclosed |
| EP-0503838-A2 | Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists | MERCK & CO. INC. (US) | 1992-09-16 | — | — | EP | disclosed |