Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHEB | Q15382 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10597129 | 0.91 | ALDH1A1 (0.47) | RHEBKEAP1AGBL2KDM4EALDH1A1 | |
| SCHEMBL4736962 | 0.90 | RHEB (0.49) | RHEBKEAP1AGBL2MEN1KMT2A | |
| SCHEMBL11158594 | 0.90 | MCL1 (0.46) | RHEBKEAP1AGBL2KDM4EALDH1A1 | |
| SCHEMBL11156793 | 0.90 | ALDH1A1 (0.44) | RHEBKEAP1AGBL2KDM4EALDH1A1 | |
| SCHEMBL11161891 | 0.87 | HTR1A (0.44) | RHEBAGBL2KDM4EALDH1A1HPGD | |
| SCHEMBL11573648 | 0.87 | RHEB (0.56) | RHEBAGBL2ALDH1A1KCNK2TSHR | |
| SCHEMBL4732967 | 0.86 | AGBL2 (0.62) | RHEBKEAP1AGBL2KDM4EALDH1A1 | |
| SCHEMBL11161521 | 0.86 | MMP2 (0.44) | AGBL2KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL8533887 | 0.86 | KEAP1 (0.50) | RHEBKEAP1AGBL2KDM4EALDH1A1 | |
| SCHEMBL8530758 | 0.85 | SLC6A9 (0.45) | RHEBKEAP1ALDH1A1CES2CES1 |
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-4086350-A | FLUORO, CHLORO AND CYANO SUBSTITUTED 4-(9-XANTHENYLIDENE, 9-THIOXANTHENYLIDENE OR 11(6H)-DIBENZO(B,E)OXEPINYLIDENE)-1-METHYL-PIPERIDINES | SMITHKLINE CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |