Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8530695 | 0.89 | HPGD (0.48) | HPGDHTTNPC1CYP1A2CYP2C9 | |
| SCHEMBL8529725 | 0.85 | HPGD (0.45) | SLC6A4SLC6A2SLC6A3HPGDHTT | |
| SCHEMBL8535062 | 0.83 | KCNK2 (0.46) | SLC6A4HPGDHTTCYP1A2CYP3A4 | |
| SCHEMBL8533425 | 0.82 | ICAM1 (0.39) | SLC6A4SLC6A2SLC6A3HPGDCYP1A2 | |
| SCHEMBL8530512 | 0.82 | SLC6A4 (0.55) | SLC6A4SLC6A2SLC6A3HPGDHTT | |
| SCHEMBL8533511 | 0.80 | SLC6A9 (0.50) | HPGDHTTKMT2ASLC6A9ALDH1A1 | |
| SCHEMBL8529827 | 0.77 | ALDH1A1 (0.42) | HPGDHTTNPC1CYP1A2CYP2C9 | |
| SCHEMBL8530206 | 0.74 | SLC6A4 (0.70) | SLC6A4SLC6A2SLC6A3SMN1; SMN2L3MBTL1 | |
| SCHEMBL16648653 | 0.72 | KMT2A (0.52) | HTTNPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL4436473 | 0.72 | MPO (0.50) | HPGDHTTCYP1A2CYP2C19KMT2A |
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 |