Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10460899 | 0.92 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3AKT1DPP4 | |
| Oxalic Acid SCHEMBL7441568 | 0.91 | OPRD1 (0.44) | SLC6A2SLC6A4SLC6A3AKT1 | |
| SCHEMBL7319671 | 0.88 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL9768345 | 0.87 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7325604 | 0.82 | OPRD1 (0.53) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21382026 | 0.82 | OPRD1 (0.53) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30149800 | 0.82 | OPRD1 (0.53) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21382056 | 0.82 | OPRD1 (0.53) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21382069 | 0.81 | ACHE (0.43) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21382142 | 0.81 | ACHE (0.43) | 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 2 patents. 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 |
| US-4950674-A | Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1990-08-21 | — | — | US | disclosed |