Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5745402 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5743865 | 0.81 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5743842 | 0.80 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5744780 | 0.77 | CYP2C9 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5244757 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP1A2HTR1A | |
| SCHEMBL5782914 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2HTR1A | |
| SCHEMBL5742832 | 0.76 | CYP2C9 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL5243727 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2HTR1A | |
| SCHEMBL5745565 | 0.75 | CYP2C9 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5779285 | 0.75 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-6420359-B1 | 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2002-07-16 | — | — | US | disclosed |