Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 5/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.41 |
| ▸ | PLAU | P00749 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3454799 | 0.85 | LCK (0.47) | LCKCHEK2PARP1PLAUESR1 | |
| SCHEMBL3454129 | 0.84 | PARP1 (0.53) | LCKCHEK2PARP1PLAUESR1 | |
| SCHEMBL3453532 | 0.80 | PLAU (0.50) | LCKCHEK2PARP1PLAUMAPT | |
| SCHEMBL19554196 | 0.78 | LCK (0.62) | LCKCHEK2PARP1MAP4K4PLAU | |
| SCHEMBL3454156 | 0.77 | LCK (0.43) | LCKCHEK2PLAUESR1ESR2 | |
| SCHEMBL3453795 | 0.76 | ALOX5 (0.44) | LCKCHEK2 | |
| SCHEMBL3453797 | 0.76 | ALOX5 (0.43) | LCKCHEK2PARP1MAP4K4PLAU | |
| SCHEMBL3454090 | 0.75 | PARP1 (0.53) | LCKCHEK2PARP1PLAUESR1 | |
| SCHEMBL3454490 | 0.75 | TSHR (0.60) | LCKCHEK2PLAUMAPTMEN1 | |
| SCHEMBL2363489 | 0.74 | LCK (0.78) | LCKPARP1PLAUKMT2AALDH1A1 |
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 |