Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 1.00 |
| ▸ | TACR3 | P29371 | 17/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 8/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL3963977 | 0.93 | TACR2 (0.86) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL5733958 | 0.87 | TACR2 (1.00) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL3969337 | 0.85 | TACR2 (0.79) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL5945397 | 0.84 | TACR3 (0.77) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL5733965 | 0.84 | TACR2 (0.77) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL3962728 | 0.83 | TACR2 (0.79) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL5733338 | 0.83 | TACR2 (0.79) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL5733729 | 0.83 | TACR2 (0.81) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| Hydrochloric Acid SCHEMBL5732533 | 0.82 | TACR2 (0.77) | TACR2TACR3OPRM1KCNH2TRPV4 | |
| SCHEMBL6277804 | 0.82 | TACR3 (0.70) | TACR2TACR3OPRM1KCNH2TRPV4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1131294-B1 | QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS | GLAXOSMITHKLINE SPA (IT) | 2006-12-20 | — | — | EP | disclosed |
| US-6613770-B1 | Neurokinin antagonists such as 3-(4-Isopropyl-piperazin-yl-methyl)-2-phenyl-quinoline-4-carboxylic acid (1,2-dimethyl-propyl)-amide dihydrochloride, used for prophylaxis of respiratory and gastrointerstinal disorders | SMITHKLINE BEECHAM S.P.A. (IT) | 2003-09-02 | — | — | US | disclosed |