Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7413219 | 0.93 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7403889 | 0.85 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7414588 | 0.83 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL23848782 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL7412633 | 0.76 | CYP11B2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL7410309 | 0.75 | CYP11B2 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7409759 | 0.73 | CYP11B2 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL30678527 | 0.73 | CHRM1 (0.32) | — | |
| SCHEMBL23832800 | 0.72 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23832801 | 0.72 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 |
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 |