Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 18/20 | 0.54 |
| ▸ | TACR2 | P21452 | 16/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6958335 | 0.99 | TACR3 (0.53) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6626342 | 0.91 | TRPV4 (0.50) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6957439 | 0.91 | TACR3 (0.46) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6959275 | 0.91 | TACR3 (0.55) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6627408 | 0.89 | TACR3 (0.43) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6953405 | 0.85 | TACR3 (0.41) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| Bromide SCHEMBL6948962 | 0.84 | TACR3 (0.39) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6201760 | 0.83 | TACR3 (0.62) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL5422562 | 0.82 | TACR3 (0.67) | TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL6200702 | 0.79 | TACR2 (0.51) | TACR3TACR2OPRM1TRPV4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339691-A1 | NOVEL COMPOUNDS | GlaxoSmithKline S.p.A. (IT) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002044154-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE SPA (IT) | 2002-06-06 | — | — | WO | disclosed |
| EP-1131295-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031037-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | WO | disclosed |