Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 3/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28709564 | 0.84 | KCNK3 (0.42) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL646644 | 0.84 | KCNK3 (0.39) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL27676041 | 0.82 | SLC6A2 (0.39) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL27703298 | 0.81 | KCNK3 (0.43) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL19275379 | 0.81 | KCNK3 (0.40) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL1047240 | 0.81 | KCNK3 (0.47) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL1047239 | 0.77 | KCNK3 (0.47) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL23835302 | 0.77 | TRPA1 (0.41) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL1199903 | 0.77 | TSHR (0.41) | KCNK3KCNK9GAARXRARXRB | |
| SCHEMBL29921054 | 0.77 | TRPA1 (0.41) | KCNK3KCNK9GAARXRARXRB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-6090828-A | ARTHERIOSCLEROSIS | REITZ DAVID B (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |
| US-5451593-A | Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5451591-A | Method of using 5-arylheteroarylalkyl-1,3 5-trisubstituted-1,24-triazole compounds for treatment of circulatory disorders | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5196537-A | Angiotensin/II/ antagonists; hypotensive agents | G. D. SEARLE & CO. (US) | 1993-03-23 | — | — | US | disclosed |
| WO-1992016523-A1 | 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS | G.D. SEARLE & CO. (US) | 1992-10-01 | — | — | WO | disclosed |
| EP-0504888-A1 | 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders | G.D. Searle & Co. (US) | 1992-09-23 | — | — | EP | disclosed |