Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 3/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3453282 | 0.90 | DHODH (0.42) | PARP1ERN1CLK1DPP4TRPM8 | |
| SCHEMBL3454177 | 0.84 | LCK (0.44) | PARP1CLK1MAOBPARP10 | |
| SCHEMBL3034523 | 0.78 | MAOB (0.52) | PARP1CLK1MAOBPARP10MEP1B | |
| SCHEMBL3034655 | 0.75 | MAOB (0.52) | HSD17B1HSD17B2TRPM8MAOBAOC3 | |
| SCHEMBL3025997 | 0.73 | HPGD (0.58) | PARP1HSD17B2PARP10AOC3NPC1 | |
| SCHEMBL3037021 | 0.73 | MKNK1 (0.54) | HSD17B1HSD17B2AOC3 | |
| SCHEMBL4159476 | 0.73 | PARP1 (0.78) | PARP1ERN1DPP4FAAHHPGDS | |
| SCHEMBL14875843 | 0.73 | FYN (0.42) | AURKAFAAHMEP1BDHODH | |
| SCHEMBL3025882 | 0.72 | HSD17B2 (0.61) | PARP1AURKAHSD17B1HSD17B2AOC3 | |
| SCHEMBL2431097 | 0.72 | PARP1 (0.64) | PARP1ERN1DHODH |
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 | claimed |
| 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 | claimed |