Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | BRS3 | P32247 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3017472 | 0.91 | HDAC1 (0.53) | HDAC1HDAC6HDAC3HDAC2BRS3 | |
| SCHEMBL3026062 | 0.81 | HDAC1 (0.52) | HDAC1HDAC6HDAC3HDAC2BRS3 | |
| SCHEMBL3034462 | 0.80 | HDAC1 (0.47) | HDAC1HDAC6HDAC3HDAC2PARP1 | |
| SCHEMBL3029955 | 0.78 | HDAC6 (0.43) | HDAC1HDAC6BRS3SIRT2MAPK8 | |
| SCHEMBL3037600 | 0.73 | HDAC1 (0.47) | HDAC1HDAC6HDAC3HDAC2NPC1 | |
| SCHEMBL3023831 | 0.71 | HDAC6 (0.46) | HDAC1HDAC6NPC1RAB9APARP1 | |
| SCHEMBL3029944 | 0.68 | HDAC6 (0.44) | HDAC1HDAC6HDAC3HDAC2BRS3 | |
| SCHEMBL7860513 | 0.68 | HIF1A (0.44) | BRS3SIRT2DHODHHTR3EHTR3B | |
| SCHEMBL3454052 | 0.67 | PLA2G2A (0.52) | NPC1RAB9ASIRT2DHODH | |
| SCHEMBL3028316 | 0.66 | HDAC1 (0.71) | HDAC1HDAC6HDAC3HDAC2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205070-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009045385-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |