Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 4/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | BAZ2A | Q9UIF9 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP4 | P49662 | 1/20 | 0.39 |
| ▸ | CASP5 | P51878 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.37 |
| ▸ | HTR3B | O95264 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31706029 | 0.84 | HDAC2 (0.48) | HDAC2HDAC1HDAC3CASP1CASP4 | |
| Hydrochloric Acid SCHEMBL31706290 | 0.82 | KDM4E (0.50) | HDAC2HDAC1HDAC3CASP1CASP4 | |
| SCHEMBL8025125 | 0.71 | CA1 (0.40) | HDAC2HDAC1HDAC3CASP1CASP4 | |
| SCHEMBL3946056 | 0.69 | CA1 (0.41) | HDAC2HDAC1HDAC3IKBKBKDM4E | |
| SCHEMBL8257243 | 0.69 | PRKCQ (0.57) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL192028 | 0.68 | CA1 (0.46) | HDAC2HDAC1HDAC3CASP1IKBKB | |
| SCHEMBL5229175 | 0.68 | BAZ2A (0.48) | HDAC2HDAC3BAZ2AALDH1A1MEN1 | |
| SCHEMBL9371310 | 0.68 | SORD (0.58) | HRH4KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL16775737 | 0.66 | CASP1 (0.43) | CASP1CASP4CASP5ITGA2BIKBKB | |
| SCHEMBL4935859 | 0.66 | MAPT (0.51) | HDAC2HDAC1HDAC3ALDH1A1KMT2A |
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-2018098296-A1 | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC (US) | 2018-05-31 | — | — | WO | disclosed |