Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.58 |
| ▸ | DRD2 | P14416 | 5/20 | 0.58 |
| ▸ | HTR1A | P08908 | 4/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.58 |
| ▸ | HTR2C | P28335 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | HRH1 | P35367 | 2/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.58 |
| ▸ | HTR6 | P50406 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10559966 | 0.99 | HTR2A (0.57) | HTR2ADRD2HTR1AADRA2AADRA1D | |
| SCHEMBL10559681 | 0.91 | DRD2 (0.55) | HTR2ADRD2HTR1AADRA2AADRA1D | |
| SCHEMBL10560816 | 0.87 | HRH2 (0.58) | HTR2AHRH1HRH3 | |
| SCHEMBL10460536 | 0.86 | HTR2A (0.58) | HTR2ADRD2HTR1AHRH1HRH3 | |
| Fumaric Acid SCHEMBL10461972 | 0.85 | DRD2 (0.49) | HTR2ADRD2HTR1AADRA2AADRA1D | |
| Fumaric Acid SCHEMBL10461968 | 0.85 | DRD2 (0.49) | HTR2ADRD2HTR1AADRA2AADRA1D | |
| SCHEMBL10558384 | 0.83 | HTR2A (0.53) | HTR2ADRD2HTR1AHRH3 | |
| Water SCHEMBL10557406 | 0.83 | HTR2A (0.49) | HTR2ADRD2HTR1AHRH1HRH3 | |
| SCHEMBL10556073 | 0.82 | HRH3 (0.55) | HTR2ADRD2HTR1AHRH1HRH3 | |
| Oxalic Acid SCHEMBL10461397 | 0.82 | KDM4E (0.58) | HTR2ADRD2HTR1AHRH1HRH3 |
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-4810713-A | Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-07 | — | — | US | claimed |
| EP-0235463-A2 | N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1987-09-09 | — | — | EP | claimed |