Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18108939 | 0.79 | HDAC6 (0.57) | KCNH2HDAC4HDAC1HDAC6 | |
| SCHEMBL18108920 | 0.79 | HDAC6 (0.45) | KCNH2HDAC4HDAC1HDAC6 | |
| SCHEMBL16804420 | 0.79 | KDM4E (0.43) | CNR1SCN9AKCNH2SCN5AOPRD1 | |
| SCHEMBL16804352 | 0.79 | KDM4E (0.41) | KCNH2OPRD1OPRK1 | |
| SCHEMBL16804034 | 0.79 | KDM4E (0.46) | OPRM1HDAC1 | |
| SCHEMBL18108847 | 0.79 | CHKA (0.51) | GAACNR1SCN9AKCNH2SCN5A | |
| SCHEMBL18852715 | 0.78 | CHKA (0.43) | CCNT1CDK9FGFR1FGFR4OPRD1 | |
| SCHEMBL16804049 | 0.78 | HDAC6 (0.46) | KCNH2HDAC4HDAC1HDAC6 | |
| SCHEMBL18125622 | 0.78 | HDAC6 (0.55) | SCN9AKCNH2SCN5AHDAC4HDAC1 | |
| SCHEMBL16804320 | 0.78 | KDM4E (0.41) | FGFR1OPRD1OPRK1 |
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-2015087151-A1 | NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2015-06-18 | — | — | WO | disclosed |