Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RHEB | Q15382 | 1/20 | 0.40 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8533887 | 0.90 | KEAP1 (0.50) | AGBL2KEAP1MAPTALDH1A1KDM4E | |
| SCHEMBL11158594 | 0.88 | MCL1 (0.46) | MCL1AGBL2KEAP1MAPTALDH1A1 | |
| SCHEMBL8533851 | 0.86 | AGBL2 (0.42) | MCL1AGBL2MAPTALDH1A1KDM4E | |
| SCHEMBL11711032 | 0.85 | SIRT1 (0.50) | AGBL2KEAP1MAPTALDH1A1KDM4E | |
| SCHEMBL8529725 | 0.84 | HPGD (0.45) | AGBL2MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL11771246 | 0.83 | KEAP1 (0.53) | MCL1KEAP1MAPTALDH1A1KDM4E | |
| SCHEMBL4437772 | 0.83 | KEAP1 (0.57) | AGBL2KEAP1MAPTALDH1A1KDM4E | |
| SCHEMBL11760163 | 0.83 | MCL1 (0.47) | MCL1MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL8535062 | 0.82 | KCNK2 (0.46) | AGBL2KEAP1MAPTALDH1A1KDM4E | |
| SCHEMBL11617056 | 0.81 | HTR1A (0.47) | AGBL2MAPTALDH1A1KDM4EHPGD |
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 4 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-4011222-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-03-08 | — | — | US | disclosed |
| US-3966737-A | NEUROLEPTIC | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |