Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7846352 | 0.80 | ADRA1D (0.40) | HTTMAPTKDM4EALDH1A1GAA | |
| SCHEMBL12482165 | 0.78 | MAOB (0.46) | ALDH1A1OPRD1KCNH2 | |
| SCHEMBL7843141 | 0.76 | ADRA1D (0.57) | HTTMAPTKDM4EALDH1A1TSHR | |
| SCHEMBL13339981 | 0.71 | OPRD1 (0.43) | ALDH1A1OPRD1KCNH2 | |
| Hydrochloric Acid SCHEMBL3495476 | 0.70 | OPRD1 (0.42) | ALDH1A1OPRD1KCNH2 | |
| SCHEMBL12480913 | 0.69 | ATM (0.44) | ALDH1A1OPRD1KCNH2 | |
| SCHEMBL1270280 | 0.66 | OPRD1 (0.37) | OPRD1KCNH2 | |
| SCHEMBL2589311 | 0.66 | OPRD1 (0.44) | ALDH1A1OPRD1KCNH2 | |
| SCHEMBL3457811 | 0.63 | OPRD1 (0.45) | HTTMAPTOPRD1KCNH2 | |
| SCHEMBL2591939 | 0.62 | OPRD1 (0.39) | CYP3A4OPRD1KCNH2MAPK1 |
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-2279187-A1 | SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | DAC S.r.l. (IT) | 2011-02-02 | — | — | EP | claimed |
| WO-2009127609-A1 | SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | DAC S.R.L. (IT) | 2009-10-22 | — | — | WO | claimed |