Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | HRH2 | P25021 | 3/20 | 0.35 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8930878 | 0.98 | MAPK1 (0.35) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL9548219 | 0.80 | AHR (0.38) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL54645 | 0.80 | CYP1A2 (0.50) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL30589180 | 0.80 | CYP1A2 (0.50) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL1947835 | 0.78 | AHR (0.41) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL10597663 | 0.75 | CYP1A2 (0.46) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL5700690 | 0.72 | CYP1A2 (0.41) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL10898650 | 0.72 | CYP1A2 (0.45) | CYP1A2CYP2D6HRH4MEN1LMNA | |
| SCHEMBL10489065 | 0.70 | AHR (0.36) | MAPK1CYP1A2CYP2D6HRH2HRH1 | |
| SCHEMBL8196063 | 0.70 | CYP1A2 (0.42) | MAPK1CYP1A2CYP2D6HRH2HRH1 |
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-1997019088-A1 | NOVEL NONLINEAR OPTICAL MOLECULES AND POLYMERS INCORPORATING THEM | HOECHST CELANESE CORPORATION (US) | 1997-05-29 | — | — | WO | disclosed |