Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | HRH2 | P25021 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7415382 | 0.84 | DRD2 (0.47) | HTR2AHRH1HTR1ADRD2EPHX2 | |
| Hydrochloric Acid SCHEMBL7415613 | 0.83 | HTR2A (0.49) | HTR2AHRH1HRH2HTR1AHRH3 | |
| Hydrochloric Acid SCHEMBL7413630 | 0.81 | SLC6A2 (0.48) | HTR2AHRH1HTR1AHRH3DRD2 | |
| Hydrochloric Acid SCHEMBL7410797 | 0.79 | DRD2 (0.51) | HTR1ADRD2HTR6 | |
| SCHEMBL7411246 | 0.77 | HTR2A (0.46) | HTR2ADRD2HTR2CCYP2D6 | |
| SCHEMBL7410875 | 0.77 | DRD2 (0.50) | HTR2AHRH1HRH2HTR1AHRH3 | |
| Hydrochloric Acid SCHEMBL7411675 | 0.76 | SLC6A2 (0.51) | HTR1AHRH3DRD2 | |
| Water SCHEMBL7514471 | 0.76 | HRH3 (0.51) | HTR2AHTR1AHRH3DRD2 | |
| SCHEMBL10459099 | 0.75 | HRH3 (0.60) | HTR2AHRH1HRH2HRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL7413705 | 0.75 | DRD2 (0.48) | HTR2AHRH1HTR1ADRD2 |
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-5198449-A | N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents | A. H. ROBINS COMPANY INCORPORATED (US) | 1993-03-30 | — | — | US | disclosed |