Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL8530498 | 0.96 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3SMN1; SMN2MEN1 | |
| SCHEMBL8533870 | 0.86 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8530453 | 0.82 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL8530136 | 0.82 | TSHR (0.53) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL8529746 | 0.81 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8534138 | 0.79 | TSHR (0.49) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| SCHEMBL20544907 | 0.77 | MEN1 (0.59) | SMN1; SMN2MEN1KMT2ALMNACA12 | |
| SCHEMBL28510538 | 0.77 | CA1 (0.66) | SMN1; SMN2MEN1KMT2ALMNAGSTP1 | |
| SCHEMBL6258642 | 0.77 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1KMT2ALMNACA12 | |
| SCHEMBL11749150 | 0.75 | SLC6A4 (0.77) | 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 |