Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | CCKBR | P32239 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7435553 | 0.90 | ABCB11 (0.45) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL10558073 | 0.89 | DRD1 (0.45) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL10461710 | 0.88 | ABCB11 (0.52) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| Water SCHEMBL10461498 | 0.87 | ABCB11 (0.51) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| Oxalic Acid SCHEMBL10460714 | 0.86 | KDM4E (0.53) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL7434723 | 0.86 | ABCB11 (0.51) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL7320146 | 0.86 | ABCB11 (0.61) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL7432529 | 0.86 | PAX8 (0.52) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| Oxalic Acid SCHEMBL10460873 | 0.85 | ABCB11 (0.58) | ABCB11CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL7441746 | 0.85 | KCNH2 (0.51) | ABCB11CHRM2HTR1AADRA2ACHRM1 |
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 |