Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLCN2 | P51788 | 2/20 | 0.46 |
| ▸ | PTPRG | P23470 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530235 | 0.89 | AR (0.43) | CLCN2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL232284 | 0.87 | HTT (0.50) | NSD2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL8533973 | 0.86 | ALDH1A1 (0.60) | ALDH1A1HTTNPC1RAB9AMEN1 | |
| SCHEMBL11478744 | 0.84 | AKR1C3 (0.42) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL6216437 | 0.84 | NSD2 (0.44) | NSD2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL11472530 | 0.83 | PTPRG (0.58) | PTPRGNSD2ALDH1A1NPC1RAB9A | |
| SCHEMBL11480340 | 0.81 | MMP2 (0.60) | HPGDARGRM4HDAC6ITGAL | |
| SCHEMBL2707834 | 0.80 | PRKAG1 (0.50) | CLCN2PTPRGNSD2ALDH1A1HTT | |
| SCHEMBL11473506 | 0.79 | PTPRG (0.48) | PTPRGNSD2ALDH1A1HTTNPC1 | |
| Hydrochloric Acid SCHEMBL10670862 | 0.78 | ALDH1A1 (0.53) | CLCN2PTPRGALDH1A1HTTNPC1 |
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 3 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 |
| US-4238611-A | Polysubstituted derivatives of 10-piperazinodibenzo (b,f) thiepine | SPOFA, UNITED PHARMACEUTICAL WORKS (CS) | 1980-12-09 | — | — | US | disclosed |