Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 3/20 | 0.48 |
| ▸ | PLAT | P00750 | 2/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 5/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17292711 | 0.81 | PARP1 (0.57) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL4672254 | 0.77 | PARP10 (0.51) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL16502444 | 0.77 | KDM4E (0.56) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL16502446 | 0.76 | CA1 (0.53) | CA1CA2PLAUPLATCYP11B1 | |
| SCHEMBL11624501 | 0.75 | ALDH1A1 (0.59) | CYP11B1CYP11B2NPC1RAB9AKMT2A | |
| SCHEMBL15412857 | 0.75 | PARP1 (0.58) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL7916802 | 0.74 | HTR5A (0.42) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL9702109 | 0.74 | KDM4E (0.70) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL7442028 | 0.74 | PARP10 (0.88) | PARP1PARP10CA1CA2PARP2 | |
| SCHEMBL578333 | 0.74 | MAP4K4 (0.61) | PARP1PARP10CA1CA2PARP2 |
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 |