Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3033967 | 0.89 | ROCK2 (0.53) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL13118303 | 0.79 | NPC1 (0.60) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL1568385 | 0.78 | ROCK2 (0.62) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL14452301 | 0.77 | ROCK2 (0.49) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL3031953 | 0.77 | LCK (0.39) | NPC1RAB9APLAUTP53 | |
| SCHEMBL23576399 | 0.76 | EPHX2 (0.56) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL24538352 | 0.75 | CYP1A2 (0.52) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL3454742 | 0.75 | MBOAT4 (0.37) | ROCK2ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL2755867 | 0.73 | EPHX2 (0.58) | ROCK2ADORA2AADORA1NAMPTNPC1 | |
| SCHEMBL12529550 | 0.73 | ADORA2A (0.50) | ROCK2ADORA2AADORA1NAMPTNPC1 |
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 |