Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7824348 | 0.86 | MAPT (0.77) | MAPTLMNAHTTAKR1B1AKR1C4 | |
| SCHEMBL4436473 | 0.86 | MPO (0.50) | MAPTLMNAHTTMEN1KMT2A | |
| SCHEMBL4637151 | 0.84 | APEX1 (0.54) | MAPTLMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL8530063 | 0.80 | ALDH1A1 (0.57) | MAPTLMNAHTTMEN1KMT2A | |
| SCHEMBL1645800 | 0.80 | MAPT (0.60) | MAPTLMNAHTTMEN1KMT2A | |
| SCHEMBL15911983 | 0.78 | ALDH1A1 (0.56) | MAPTLMNAHTTAKR1B1AKR1C4 | |
| SCHEMBL8535062 | 0.78 | KCNK2 (0.46) | MAPTLMNAHTTALDH1A1CYP1A2 | |
| SCHEMBL4433443 | 0.78 | ALDH1A1 (0.52) | MAPTHTTMEN1KMT2AALDH1A1 | |
| SCHEMBL442397 | 0.77 | HPD (0.60) | MAPTLMNAHTTAKR1B1AKR1C4 | |
| SCHEMBL4448254 | 0.77 | CFTR (0.49) | ALDH1A1CYP2C19HPGD |
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 |