Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530235 | 0.86 | AR (0.43) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL8533409 | 0.86 | CLCN2 (0.46) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL8533347 | 0.85 | HPGD (0.50) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL5833804 | 0.78 | KMT2A (0.50) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL11480340 | 0.75 | MMP2 (0.60) | HPGDSLC6A4ARGRM4HDAC6 | |
| SCHEMBL11749787 | 0.75 | SIRT1 (0.61) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL8534092 | 0.74 | ALDH1A1 (0.69) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL8529733 | 0.74 | MEN1 (0.54) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL8530163 | 0.74 | ALDH1A1 (0.54) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL11473183 | 0.74 | AR (0.44) | MAPTMEN1KMT2ASLC6A4AR |
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 |