Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 12/20 | 0.49 |
| ▸ | DRD2 | P14416 | 11/20 | 0.49 |
| ▸ | HTR1A | P08908 | 11/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9535482 | 0.85 | DRD2 (0.54) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| SCHEMBL9535893 | 0.85 | HTR1A (0.53) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| SCHEMBL9690828 | 0.84 | DRD2 (0.47) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| Fumaric Acid SCHEMBL9630652 | 0.80 | DRD2 (0.43) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| SCHEMBL9537175 | 0.77 | HRH1 (0.53) | DRD2KCNH2HRH1CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL10550355 | 0.77 | KCNH2 (0.50) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| Hydrochloric Acid SCHEMBL9538675 | 0.76 | KCNH2 (0.49) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| SCHEMBL10551226 | 0.76 | DRD2 (0.52) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| SCHEMBL10551137 | 0.76 | DRD2 (0.52) | HTR2ADRD2HTR1AKCNH2HTR2C | |
| SCHEMBL9537863 | 0.75 | SSTR5 (0.45) | HTR2ADRD2HTR1AKCNH2HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | claimed |