Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | LOX | P28300 | 6/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2690207 | 0.78 | CYP2E1 (1.00) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL31558446 | 0.76 | CYP2A6 (0.96) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1515909 | 0.72 | ACP3 (0.48) | CYP3A4CYP2D6CYP1A2MAOAHPGDS | |
| SCHEMBL13368895 | 0.70 | ACP3 (0.47) | CYP3A4CYP1A2CHRNB2CHRNA4 | |
| SCHEMBL193931 | 0.70 | CYP2D6 (0.48) | CYP3A4CYP2A6CYP2D6 | |
| SCHEMBL19784056 | 0.69 | CHRNB2 (0.40) | LOXL2CHRNB2CHRNA4 | |
| SCHEMBL4411621 | 0.68 | CYP2A6 (0.66) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19531540 | 0.68 | CYP2A6 (0.66) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL6438203 | 0.67 | TSHR (0.42) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL2886707 | 0.66 | CYP2A6 (0.63) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011090-A1 | HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2018-01-18 | — | — | WO | disclosed |