Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.83 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.53 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16306975 | 1.00 | CYP2D6 (0.83) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL7264542 | 0.91 | CYP2D6 (1.00) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL6706135 | 0.91 | CYP2D6 (1.00) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL16226061 | 0.91 | CYP2D6 (1.00) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL5355369 | 0.91 | CYP2D6 (0.74) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL6396631 | 0.86 | CYP2D6 (0.68) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL20008969 | 0.84 | CYP2D6 (0.87) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL18704984 | 0.84 | CYP2D6 (0.87) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL20009024 | 0.84 | CYP2D6 (0.87) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL13251612 | 0.83 | CYP2D6 (0.63) | CYP2D6MC4ROPRM1OPRD1OPRK1 |
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-9938253-B2 | Catalysts for efficient Z-selective metathesis | TRUSTEES OF BOSTON COLLEGE (US) | 2018-04-10 | — | — | US | disclosed |