Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPY1R | P25929 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPY2R | P49146 | 1/20 | 0.48 |
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 SCHEMBL8529746 | 0.99 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL11749150 | 0.84 | SLC6A4 (0.77) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL8533566 | 0.83 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8530233 | 0.83 | CYP2C9 (0.63) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8533562 | 0.82 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8530498 | 0.82 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8532099 | 0.80 | SLC6A4 (0.85) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8534387 | 0.80 | SLC6A4 (1.00) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8533966 | 0.80 | SLC6A4 (0.76) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8531973 | 0.79 | SLC6A4 (0.69) | 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 |