Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 5/20 | 0.45 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10597129 | 0.90 | ALDH1A1 (0.47) | SLC6A9KEAP1ALDH1A1GLAL3MBTL1 | |
| SCHEMBL11760302 | 0.88 | GRIK1 (0.49) | SLC6A9ALDH1A1GRIK1RHEB | |
| SCHEMBL8533329 | 0.87 | SLC6A9 (0.48) | SLC6A9DCLRE1BEPHX1KEAP1NOTUM | |
| SCHEMBL26676266 | 0.87 | SIRT1 (0.51) | SLC6A9EPHX1ALDH1A1GLAL3MBTL1 | |
| SCHEMBL8531521 | 0.86 | SLC6A9 (0.42) | SLC6A9EPHX1HAO1ALDH1A1CES2 | |
| SCHEMBL8533536 | 0.85 | RHEB (0.47) | SLC6A9KEAP1NOTUMALDH1A1GLA | |
| SCHEMBL8529753 | 0.82 | SLC6A9 (0.47) | SLC6A9EPHX1ALDH1A1 | |
| SCHEMBL29269655 | 0.81 | KDM4C (0.50) | SLC6A9EPHX1HAO1ALDH1A1L3MBTL1 | |
| SCHEMBL30402222 | 0.81 | KDM4C (0.50) | SLC6A9EPHX1HAO1ALDH1A1L3MBTL1 | |
| SCHEMBL4442324 | 0.80 | POLB (0.53) | KEAP1ALDH1A1L3MBTL1POLB |
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 |