Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438204 | 0.71 | CYP2A6 (0.34) | SLC6A3 | |
| SCHEMBL4437241 | 0.69 | SLC6A3 (0.45) | CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27083166 | 0.68 | CHRM1 (0.34) | CHRM1SLC6A2SLC6A4SLC6A3HCAR3 | |
| SCHEMBL4446504 | 0.68 | MAOA (0.39) | SLC6A2SLC6A4SLC6A3CES2CES1 | |
| SCHEMBL27082164 | 0.66 | CHRM1 (0.33) | CHRM1SLC6A2SLC6A4SLC6A3HCAR3 | |
| SCHEMBL1310070 | 0.65 | — | — | |
| SCHEMBL4440469 | 0.65 | SLC6A4 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28018276 | 0.64 | CES2 (0.40) | CHRM1SLC6A2SLC6A4SLC6A3HCAR3 | |
| SCHEMBL27082374 | 0.64 | KCNA3 (0.36) | CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4435076 | 0.64 | KDM1A (0.44) | SLC6A2SLC6A4SLC6A3CES2 |
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-2134692-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | Wyeth a Corporation of the State of Delaware (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008121817-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | WYETH (US) | 2008-10-09 | — | — | WO | disclosed |