Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593455 | 0.75 | CES2 (0.41) | CES2CES1OPRM1OPRL1ACKR3 | |
| SCHEMBL6421263 | 0.70 | CES2 (0.32) | CES2CES1OPRM1OPRL1 | |
| SCHEMBL6012109 | 0.69 | CES2 (0.41) | CES2CES1OPRM1OPRL1 | |
| SCHEMBL12861273 | 0.68 | OPRM1 (0.52) | CES2CES1OPRM1OPRL1 | |
| SCHEMBL7496510 | 0.66 | OPRM1 (0.43) | OPRM1 | |
| SCHEMBL23085208 | 0.65 | ALDH1A1 (0.52) | CES2CES1 | |
| SCHEMBL8109949 | 0.65 | CACNA1B (0.50) | OPRM1 | |
| SCHEMBL22608928 | 0.63 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL8141135 | 0.63 | HTT (0.42) | — | |
| SCHEMBL14537114 | 0.62 | CES2 (0.61) | CES2CES1 |
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-1898914-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007000435-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-01-04 | — | — | WO | disclosed |