Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 8/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 SCHEMBL9471472 | 0.99 | OPRM1 (0.47) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| SCHEMBL7270798 | 0.91 | KCNH2 (0.44) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL9471544 | 0.90 | KCNH2 (0.43) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL9470904 | 0.88 | OPRM1 (0.50) | OPRM1SIGMAR1KCNH2DRD2CCR5 | |
| SCHEMBL7270725 | 0.88 | SIGMAR1 (0.47) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL9470820 | 0.87 | SIGMAR1 (0.46) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL9470905 | 0.86 | ALDH1A1 (0.43) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| SCHEMBL7329236 | 0.85 | CCR5 (0.46) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL9470920 | 0.84 | CCR5 (0.44) | OPRM1SIGMAR1KCNH2DRD2HTR2A | |
| SCHEMBL7276638 | 0.84 | SIGMAR1 (0.42) | OPRM1SIGMAR1KCNH2DRD2HTR2A |
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-0457686-B1 | Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1994-08-03 | — | — | EP | disclosed |