Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 10/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6516873 | 0.80 | MAOA (0.41) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL27518334 | 0.79 | HSD11B1 (0.45) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL26167915 | 0.77 | HSD11B1 (0.35) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL2271390 | 0.76 | HSD11B1 (0.40) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL10928781 | 0.74 | MAOA (0.36) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL1254617 | 0.74 | HRH1 (0.41) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL2276663 | 0.73 | HRH1 (0.40) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL27485969 | 0.73 | PNMT (0.39) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL7582908 | 0.70 | CHRM2 (0.41) | HRH1CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL3823962 | 0.70 | CHRM1 (0.50) | HRH1CHRM1CHRM2CHRM4CHRM5 |
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-2861608-B1 | PRODRUG DERIVATIVES OF (E)-N-METHYL-N-((3-METHYLBENZOFURAN-2-YL)METHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-3-YL)ACRYLAMIDE | DEBIOPHARM INT SA (CH) | 2019-04-24 | — | — | EP | disclosed |