Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL508009 | 0.81 | CES2 (0.52) | CES2CES1TRPA1CHRM2CYP2D6 | |
| SCHEMBL3007585 | 0.78 | CES2 (0.48) | CES2CES1CHRM2CYP2D6ADRA2B | |
| Hydrochloric Acid SCHEMBL22614733 | 0.76 | CES2 (0.47) | CES2CES1CHRM2CYP2D6ADRA2B | |
| SCHEMBL11650551 | 0.75 | PGR (0.48) | CES2CES1ADRA2BKCNH2KMT2A | |
| SCHEMBL507700 | 0.70 | CES2 (0.48) | CES2CES1KMT2AALDH1A1TDP1 | |
| SCHEMBL526411 | 0.70 | CES2 (0.57) | CES2CES1TRPA1KMT2ACYP4F2 | |
| SCHEMBL506537 | 0.70 | KMT2A (0.67) | CES2CES1HRH3KMT2ARAB9A | |
| SCHEMBL3671949 | 0.69 | CES2 (0.52) | CES2CES1TRPA1KMT2AALDH1A1 | |
| SCHEMBL2574286 | 0.69 | CES2 (0.52) | CES2CES1TRPA1KMT2AALDH1A1 | |
| SCHEMBL9541276 | 0.69 | CES2 (0.61) | CES2CES1TRPA1KMT2AALDH1A1 |
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-0104572-A1 | Benzyl ethers of phenol Mannich bases, process for their production, their use and pharmaceutical preparations based on these compounds, intermediates and process for their production | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-04 | — | — | EP | disclosed |