Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 7/20 | 0.70 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.70 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17533378 | 0.87 | OPRM1 (0.72) | OPRM1SIGMAR1CHRM3DRD2KCNH2 | |
| SCHEMBL4871267 | 0.86 | CHRM2 (0.63) | OPRM1SIGMAR1CHRM3CHRM2DRD2 | |
| SCHEMBL7269086 | 0.85 | OPRM1 (0.72) | OPRM1SIGMAR1ACHECHRM3CHRM2 | |
| SCHEMBL6045571 | 0.83 | OPRM1 (1.00) | OPRM1SIGMAR1CHRM3CHRM2DRD2 | |
| Hydrochloric Acid SCHEMBL29651340 | 0.82 | OPRM1 (0.97) | OPRM1SIGMAR1CHRM3CHRM2DRD2 | |
| Oxalic Acid SCHEMBL6045624 | 0.81 | OPRM1 (0.95) | OPRM1SIGMAR1CHRM3CHRM2DRD2 | |
| SCHEMBL784863 | 0.80 | SIGMAR1 (0.68) | OPRM1SIGMAR1ACHECHRM3CHRM2 | |
| SCHEMBL15920014 | 0.79 | OPRM1 (0.86) | OPRM1SIGMAR1CHRM3CHRM2DRD2 | |
| SCHEMBL925917 | 0.79 | OPRM1 (0.86) | OPRM1SIGMAR1CHRM3CHRM2DRD2 | |
| SCHEMBL15920012 | 0.79 | OPRM1 (0.86) | OPRM1SIGMAR1ACHECHRM3CHRM2 |
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-2016029218-A1 | SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION | THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2016-02-25 | — | — | WO | disclosed |