Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 13/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 9/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NPY1R | P25929 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NPY2R | P49146 | 1/20 | 0.49 |
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 SCHEMBL8535067 | 0.99 | SLC6A4 (0.97) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8537686 | 0.84 | SLC6A4 (1.00) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8530914 | 0.81 | SLC6A4 (0.73) | SLC6A4SLC6A2SLC6A3LMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL9544114 | 0.80 | SLC6A4 (0.71) | SLC6A4SLC6A2SLC6A3LMNACYP3A4 | |
| SCHEMBL8533336 | 0.80 | SLC6A4 (0.71) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL11749150 | 0.78 | SLC6A4 (0.77) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8533455 | 0.78 | SLC6A4 (1.00) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8531609 | 0.78 | SLC6A4 (0.69) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL10341596 | 0.78 | SLC6A4 (0.69) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8532099 | 0.77 | SLC6A4 (0.85) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0859757-A1 | DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS | Farmak A.S. (CZ) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997017325-A1 | DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS | FARMAK A.S. (CZ) | 1997-05-15 | — | — | WO | disclosed |