Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14824572 | 0.79 | OPRM1 (0.45) | HTR2ADRD3CHRM1DRD2ADRA2B | |
| SCHEMBL7680917 | 0.74 | ACE (0.47) | GRM7ACE | |
| SCHEMBL835059 | 0.72 | IDO1 (0.47) | DRD3CYP19A1IDO1ADRA2AMAPT | |
| SCHEMBL29447948 | 0.72 | IDO1 (0.47) | DRD3CYP19A1IDO1ADRA2AMAPT | |
| SCHEMBL7678421 | 0.72 | CYP19A1 (0.37) | HTR2ADRD3CHRM1DRD2ADRA2B | |
| SCHEMBL7678032 | 0.72 | HTR6 (0.46) | HTR2ADRD3CHRM1DRD2ADRA2B | |
| SCHEMBL9466772 | 0.71 | MAPT (0.41) | CYP19A1IDO1ADRA2AMAPTGRM7 | |
| SCHEMBL14928915 | 0.69 | — | — | |
| SCHEMBL4284276 | 0.69 | — | — | |
| SCHEMBL18125093 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362141-B1 | ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-03-26 | — | — | US | disclosed |
| US-6342612-B1 | FRAGRANCES | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-01-29 | — | — | US | disclosed |