Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 5/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | PSMB1 | P20618 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4817770 | 0.99 | HDAC1 (0.46) | HDAC1HDAC6JAK2BRD4RET | |
| SCHEMBL5498703 | 0.94 | HDAC1 (0.52) | HDAC1HDAC6HDAC8KDM4EKDM1A | |
| SCHEMBL4247487 | 0.93 | ADAM17 (0.44) | HDAC1HDAC6JAK2BRD4RET | |
| Hydrochloric Acid SCHEMBL4809157 | 0.93 | HDAC1 (0.51) | HDAC1HDAC6HDAC8KDM4EKDM1A | |
| SCHEMBL416282 | 0.88 | HPGD (0.51) | HDAC1HDAC6JAK2BRD4RET | |
| SCHEMBL4816497 | 0.87 | HDAC3 (0.46) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL4253905 | 0.86 | ALDH1A1 (0.45) | HDAC1KDM4EKDM1AACACBPSMB1 | |
| SCHEMBL447779 | 0.86 | HDAC1 (0.50) | HDAC1HDAC6JAK2BRD4RET | |
| Hydrochloric Acid SCHEMBL5970288 | 0.84 | CHEK2 (0.40) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL444969 | 0.83 | ADAM17 (0.45) | HDAC1HDAC6JAK2BRD4RET |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656348-B1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARM INC (US) | 2007-02-07 | — | — | EP | claimed |