Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2474861 | 0.81 | ESR2 (0.63) | ARESR2ESR1 | |
| SCHEMBL10361275 | 0.80 | KIF11 (0.50) | ESR2ESR1 | |
| SCHEMBL3139383 | 0.80 | CYP2A6 (0.50) | PTGS2LRRK2CYP2A6ALDH1A1CYP2B6 | |
| SCHEMBL31618738 | 0.79 | PTGS2 (0.67) | PTGS2CYP2A6ALDH1A1CYP2B6ESR2 | |
| SCHEMBL15214877 | 0.76 | AR (0.46) | ARALDH1A1ESR2ESR1KDM4E | |
| SCHEMBL12422714 | 0.73 | CYP2A6 (0.68) | PTGS2CYP2A6ALDH1A1CYP2B6ESR2 | |
| SCHEMBL29799042 | 0.72 | ESR2 (0.66) | LRRK2ARCYP2A6ALDH1A1ESR2 | |
| SCHEMBL22560836 | 0.72 | AR (0.51) | LRRK2ARCYP2A6ALDH1A1ESR2 | |
| SCHEMBL27963955 | 0.72 | ESR2 (0.66) | LRRK2ARCYP2A6ALDH1A1ESR2 | |
| SCHEMBL313 | 0.72 | ESR2 (0.66) | LRRK2ARCYP2A6ALDH1A1ESR2 |
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-5252574-A | Hypotensive agents, vision disorder | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | disclosed |
| US-5198438-A | ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED THIOPHENE OR FURAN | MERCK & CO., INC. (US) | 1993-03-30 | — | — | US | disclosed |
| US-5177074-A | Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression | MERCK & CO., INC. (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0513979-A1 | Angiotensin II antagonists incorporating a substituted thiophene or furan | MERCK & CO. INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| EP-0512675-A1 | Angiotensin II antagonists incorporating a substituted thiophene or furan | MERCK & CO. INC. (US) | 1992-11-11 | — | — | EP | disclosed |
| EP-0510812-A1 | Angiotensin II antagonists incorporating a substituted thiophene or furan | MERCK & CO. INC. (US) | 1992-10-28 | — | — | EP | disclosed |