Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 5/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3240737 | 0.94 | MAPK14 (0.48) | GRM1MAPK14HDAC1HDAC6HDAC9 | |
| SCHEMBL3262923 | 0.86 | GRM1 (0.44) | GRM1MAPK14ROCK1PRKACAROCK2 | |
| SCHEMBL3262051 | 0.84 | CYP1A2 (0.43) | MAPK14MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3233610 | 0.84 | KDM4E (0.38) | MAPK14HDAC1MAPTNPC1RAB9A | |
| SCHEMBL3238619 | 0.83 | KDM4E (0.34) | MAPK14HDAC1HDAC6HDAC9HDAC2 | |
| SCHEMBL3227664 | 0.82 | HDAC1 (0.32) | MAPK14HDAC1 | |
| SCHEMBL3233744 | 0.81 | KMT2A (0.47) | MAPK14HDAC1HDAC6HDAC9MAPT | |
| SCHEMBL3230365 | 0.80 | HDAC1 (0.43) | HDAC1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL3241080 | 0.79 | MPO (0.40) | HDAC1MAPT | |
| SCHEMBL3234299 | 0.78 | RAB9A (0.48) | HDAC1HDAC6HDAC9MAPTNPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |