Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | RHEB | Q15382 | 3/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL234760 | 0.86 | RHEB (0.52) | ALDH1A1ALOX15RHEBSIRT1MAPT | |
| SCHEMBL11476180 | 0.78 | SIRT1 (0.67) | ALDH1A1ALOX15SIRT1MEN1MAPT | |
| SCHEMBL9815789 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ALOX15SIRT1MEN1MAPT | |
| SCHEMBL11473506 | 0.76 | PTPRG (0.48) | ALDH1A1RHEBSIRT1MAPTHPGD | |
| SCHEMBL8533398 | 0.76 | SIRT1 (0.50) | ALDH1A1ALOX15SIRT1CHRM2CHRM1 | |
| SCHEMBL8531894 | 0.75 | SIRT1 (0.46) | ALDH1A1ALOX15SIRT1MEN1MAPT | |
| SCHEMBL8529802 | 0.75 | SLC6A2 (0.48) | ALDH1A1ALOX15SIRT1MAPTCES2 | |
| SCHEMBL28016940 | 0.75 | RHEB (0.43) | ALDH1A1ALOX15RHEBMEN1MAPT | |
| SCHEMBL8609339 | 0.75 | SLC6A2 (0.51) | ALDH1A1SIRT1MAPTCES2LMNA | |
| SCHEMBL11485914 | 0.73 | CYP2C9 (0.62) | RHEBHPGDLMNA |
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 |