Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | RHEB | Q15382 | 2/20 | 0.43 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8533851 | 0.91 | AGBL2 (0.42) | ALDH1A1MAPTKDM4EHPGDKCNQ3 | |
| SCHEMBL8533425 | 0.88 | ICAM1 (0.39) | ALDH1A1MAPTKDM4EHPGDKCNQ3 | |
| SCHEMBL8534100 | 0.86 | RHEB (0.43) | ALDH1A1MAPTKDM4EHPGDKCNQ3 | |
| SCHEMBL8533547 | 0.85 | SLC6A9 (0.44) | ALDH1A1CES2CES1SLC6A9ALOX15 | |
| SCHEMBL8533887 | 0.84 | KEAP1 (0.50) | ALDH1A1MAPTKDM4EHPGDKCNQ3 | |
| SCHEMBL6225041 | 0.82 | CES2 (0.45) | ALDH1A1HPGDCES2CES1KEAP1 | |
| SCHEMBL8530695 | 0.79 | HPGD (0.48) | ALDH1A1MAPTKDM4EHPGDRHEB | |
| SCHEMBL8531538 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHPGDCES2 | |
| SCHEMBL8532042 | 0.76 | HPGD (0.56) | ALDH1A1MAPTKDM4EHPGDRHEB | |
| SCHEMBL11711032 | 0.76 | SIRT1 (0.50) | ALDH1A1MAPTKDM4ERHEBAGBL2 |
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 |