Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8529725 | 0.93 | HPGD (0.45) | HPGDHTTALDH1A1MAPTKDM4E | |
| SCHEMBL8533559 | 0.89 | SLC6A4 (0.44) | HPGDHTTALDH1A1MAPTKDM4E | |
| SCHEMBL8529827 | 0.88 | ALDH1A1 (0.42) | HPGDHTTALDH1A1MAPTKDM4E | |
| SCHEMBL8533511 | 0.87 | SLC6A9 (0.50) | HPGDHTTALDH1A1MAPTKMT2A | |
| SCHEMBL8533887 | 0.80 | KEAP1 (0.50) | HPGDALDH1A1MAPTKDM4EAGBL2 | |
| SCHEMBL8530468 | 0.79 | ALDH1A1 (0.44) | HPGDHTTALDH1A1MAPTKDM4E | |
| SCHEMBL8533467 | 0.77 | AGBL2 (0.55) | HPGDHTTALDH1A1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL8530217 | 0.77 | ALDH1A1 (0.70) | HPGDHTTALDH1A1MAPTKDM4E | |
| SCHEMBL8535585 | 0.75 | MCL1 (0.46) | HPGDALDH1A1MAPTKDM4EAGBL2 | |
| SCHEMBL8529753 | 0.75 | SLC6A9 (0.47) | HPGDHTTALDH1A1MAPTKMT2A |
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 |