Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.55 |
| ▸ | TACR3 | P29371 | 17/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.54 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748205 | 1.00 | TACR2 (0.55) | TACR2TACR3OPRM1TRPV4KCNH2 | |
| SCHEMBL6201967 | 0.91 | TACR2 (0.58) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL6203381 | 0.89 | TACR2 (0.56) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL5746547 | 0.88 | TACR2 (0.54) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL6201838 | 0.87 | TACR2 (0.55) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL6248213 | 0.87 | TACR2 (0.55) | TACR2TACR3OPRM1TRPV4KCNH2 | |
| SCHEMBL6203084 | 0.87 | TACR2 (0.63) | TACR2TACR3OPRM1TRPV4KCNH2 | |
| SCHEMBL6268952 | 0.86 | TACR3 (0.54) | TACR2TACR3OPRM1TRPV4KCNH2 | |
| SCHEMBL6201403 | 0.83 | TACR2 (0.62) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL5746812 | 0.82 | CYP2C9 (0.51) | TACR2TACR3OPRM1TRPV4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385839-B1 | 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GLAXOSMITHKLINE SPA (IT) | 2006-02-22 | — | — | EP | claimed |