Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL402013 | 0.88 | BCAT2 (0.56) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL5608858 | 0.86 | BCAT2 (0.61) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL975811 | 0.86 | KDM4E (0.68) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL5049433 | 0.85 | KDM4E (0.61) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL698805 | 0.84 | KDM4E (0.64) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL27705003 | 0.82 | KDM4E (0.63) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL6389895 | 0.81 | KDM4E (0.57) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL16914158 | 0.81 | ALDH1A1 (0.61) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL901580 | 0.81 | BCAT2 (0.71) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL5742619 | 0.79 | MYC (0.53) | KDM4EALDH1A1HPGDMAPTTSHR |
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 |