Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5796847 | 0.89 | HDAC6 (0.40) | CYP2C9HPGDCYP2C19HTT | |
| SCHEMBL5797409 | 0.82 | HTT (0.40) | CYP2C9HPGDCYP2C19HTTDHODH | |
| SCHEMBL5797812 | 0.80 | DHODH (0.42) | CYP2C9HPGDCYP2C19HTTDHODH | |
| SCHEMBL5808367 | 0.78 | PIN1 (0.46) | HPGDDHODHSMN1; SMN2MAPTMCL1 | |
| SCHEMBL5808364 | 0.78 | PIN1 (0.46) | HPGDDHODHSMN1; SMN2MAPTMCL1 | |
| SCHEMBL5796765 | 0.76 | MAPT (0.41) | CYP2C9HPGDCYP2C19HTTDHODH | |
| SCHEMBL5799640 | 0.75 | MAPT (0.52) | HTTDHODHMAPTMCL1MEN1 | |
| SCHEMBL5799669 | 0.74 | IDO1 (0.39) | CYP2C9HPGDCYP2C19HTTDHODH | |
| SCHEMBL5799320 | 0.73 | HDAC1 (0.40) | HTT | |
| SCHEMBL5799741 | 0.73 | ALDH1A1 (0.40) | DHODHSMN1; SMN2MAPTMCL1CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006025683-A1 | ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2006-03-09 | — | — | WO | disclosed |