Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.59 |
| ▸ | HTR2C | P28335 | 2/20 | 0.59 |
| ▸ | HTR7 | P34969 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9330147 | 0.79 | HTR2A (0.87) | HTR2AHTR2CHTR7KDM4ECYP1A2 | |
| SCHEMBL28781802 | 0.78 | ACHE (0.76) | SLC6A4SLC6A3 | |
| SCHEMBL7417986 | 0.77 | PKM (0.51) | — | |
| SCHEMBL7409826 | 0.77 | ALDH1A1 (0.46) | HTR2AHTR2CHTR7TSHR | |
| SCHEMBL9328582 | 0.77 | HTR2A (0.87) | HTR2AHTR2CHTR7KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL7411439 | 0.76 | HTR2A (0.67) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1505925 | 0.76 | SLC6A4 (0.61) | CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL7416706 | 0.75 | KMT2A (0.47) | HTR2ATSHR | |
| SCHEMBL7219033 | 0.74 | HRH3 (0.51) | — | |
| SCHEMBL7417922 | 0.73 | RPS6KB1 (0.43) | HTR2ASLC6A4SLC6A3 |
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 |