Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL7443381 | 0.88 | DRD2 (0.44) | KDM4EALDH1A1MAPK1ACHEHTR1A | |
| SCHEMBL7433713 | 0.86 | HTR1A (0.43) | KDM4EALDH1A1MAPK1ACHEHTR1A | |
| SCHEMBL7443763 | 0.86 | KCNH2 (0.44) | KDM4EALDH1A1MAPK1HTR1ADRD2 | |
| SCHEMBL10460769 | 0.85 | ABCB11 (0.56) | KDM4EALDH1A1ACHEHTR1ADRD2 | |
| SCHEMBL7441777 | 0.84 | KCNH2 (0.48) | ACHEHTR1ADRD2HTR2ACHRM1 | |
| SCHEMBL7446532 | 0.83 | ABCB11 (0.47) | KDM4EALDH1A1ACHEHTR1ADRD2 | |
| Oxalic Acid SCHEMBL10460714 | 0.83 | KDM4E (0.53) | KDM4EALDH1A1MAPK1ACHEHTR1A | |
| Oxalic Acid SCHEMBL10461465 | 0.83 | ABCB11 (0.54) | KDM4EALDH1A1ACHEHTR1ADRD2 | |
| SCHEMBL7437606 | 0.82 | ABCB11 (0.47) | KDM4EALDH1A1ACHEHTR1ADRD2 | |
| SCHEMBL10461677 | 0.82 | KDM4E (0.49) | KDM4EALDH1A1MAPK1HTR1ADRD2 |
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-5070087-A | Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-12-03 | — | — | US | disclosed |