Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL1667533 | 0.85 | ALDH1A1 (0.49) | CYP2C19CYP3A4TSHRALDH1A1LMNA | |
| SCHEMBL11221313 | 0.80 | ALDH1A1 (0.50) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL113896 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL10601133 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL492276 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL4855890 | 0.78 | CYP1A2 (0.74) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL10598753 | 0.77 | OPRM1 (0.63) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL10926020 | 0.76 | ALDH1A1 (0.52) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL547997 | 0.76 | CYP1A2 (0.49) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL5755490 | 0.76 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2099758-A1 | ANTIBACTERIAL QUINOLINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-09-16 | — | — | EP | disclosed |
| CN-101423502-A | 1-heterocycle-5-phenyl-2amylene-1-ones compounds as well as preparation method and application thereof | UNIV CHINA AGRICULTURAL (CN) | 2009-05-06 | — | — | CN | disclosed |
| WO-2008068267-A1 | ANTIBACTERIAL QUINOLINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-06-12 | — | — | WO | disclosed |
| EP-1898909-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007000434-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-01-04 | — | — | WO | disclosed |