Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4221560 | 0.88 | ROCK2 (0.52) | ROCK2ROCK1CCR2JAK1PRKAA2 | |
| SCHEMBL4221556 | 0.88 | ROCK2 (0.52) | ROCK2ROCK1CCR2JAK1PRKAA2 | |
| Hydrochloric Acid SCHEMBL4217984 | 0.84 | HDAC8 (0.53) | ROCK2ROCK1CCR2JAK1DRD2 | |
| Hydrochloric Acid SCHEMBL4217994 | 0.84 | HDAC8 (0.53) | ROCK2ROCK1CCR2JAK1DRD2 | |
| SCHEMBL4217274 | 0.78 | ROCK2 (0.41) | ROCK2ROCK1CCR2JAK1PARP1 | |
| SCHEMBL4217259 | 0.78 | ROCK2 (0.41) | ROCK2ROCK1CCR2JAK1PARP1 | |
| SCHEMBL4227618 | 0.75 | SIGMAR1 (0.49) | ROCK2ROCK1CCR2JAK1PRKAA2 | |
| SCHEMBL4227610 | 0.75 | SIGMAR1 (0.49) | ROCK2ROCK1CCR2JAK1PRKAA2 | |
| SCHEMBL4229467 | 0.74 | SCN1A (0.47) | ROCK2ROCK1CCR2JAK1PRKAA2 | |
| SCHEMBL4229473 | 0.74 | SCN1A (0.47) | ROCK2ROCK1CCR2JAK1PRKAA2 |
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-1776357-A1 | HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) | Astellas Pharma Inc. (JP) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006016680-A1 | HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) | ASTELLAS PHARMA INC. (JP) | 2006-02-16 | — | — | WO | disclosed |