Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3454745 | 0.75 | ROCK2 (0.52) | ADORA2AADORA1NPC1RAB9AMAPT | |
| SCHEMBL28217927 | 0.74 | PLA2G4A (0.41) | LCKNPC1ALDH1A1MAPTPOLB | |
| SCHEMBL3031953 | 0.71 | LCK (0.39) | LCKMETAP2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1568383 | 0.71 | MBOAT4 (0.52) | MBOAT4SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL3028424 | 0.71 | LCK (0.49) | LCKSMN1; SMN2ALDH1A1MAPTHSD17B10 | |
| SCHEMBL15389131 | 0.70 | NPC1 (0.43) | SMN1; SMN2NPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL3454125 | 0.68 | PLAU (0.43) | PLAU | |
| SCHEMBL29625781 | 0.67 | LCK (0.56) | LCKALDH1A1MAPTHSD17B10POLB | |
| SCHEMBL1767492 | 0.67 | SIRT3 (0.44) | METAP2NPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL3454173 | 0.66 | LCK (0.55) | LCKALDH1A1MAPTPLAUKDM4E |
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 |