Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 3/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16804413 | 0.90 | HDAC6 (0.41) | KDM1AMAOBRCOR1CXCR4 | |
| SCHEMBL18125623 | 0.89 | SMN1; SMN2 (0.39) | KDM1AMAOBRCOR1CXCR4OPRK1 | |
| SCHEMBL16804290 | 0.87 | HDAC6 (0.42) | — | |
| SCHEMBL16804212 | 0.87 | OPRD1 (0.39) | USP7GHSROPRK1CYP3A4CYP2C9 | |
| SCHEMBL18125625 | 0.85 | SMN1; SMN2 (0.40) | GHSROPRM1OPRK1 | |
| SCHEMBL20525344 | 0.85 | DRD2 (0.33) | AKT2AKT1DRD2HTR6GRM2 | |
| SCHEMBL16804296 | 0.83 | HDAC6 (0.41) | KDM1AMAOBRCOR1 | |
| SCHEMBL18109007 | 0.81 | MEN1 (0.40) | DRD2HTR6 | |
| SCHEMBL18108913 | 0.78 | HDAC1 (0.46) | KDM1A | |
| SCHEMBL18108961 | 0.78 | CYP11B2 (0.39) | OPRK1 |
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 |