Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8325813 | 0.90 | TBXAS1 (0.56) | HDAC1HDAC8HDAC2HDAC3CYP2E1 | |
| SCHEMBL8325909 | 0.90 | HDAC4 (0.55) | HDAC1HDAC8HDAC2HDAC3CYP2E1 | |
| SCHEMBL8322937 | 0.87 | CYP3A4 (0.49) | HDAC1HDAC8CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL8319264 | 0.80 | HDAC6 (0.54) | HDAC1HDAC8HDAC2HDAC3HDAC6 | |
| SCHEMBL8318730 | 0.80 | TBXAS1 (0.60) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL3439437 | 0.79 | MEN1 (0.62) | HDAC1HDAC8HDAC2HDAC3HDAC6 | |
| SCHEMBL1346083 | 0.77 | HPGDS (0.77) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL8324956 | 0.77 | HDAC1 (0.54) | HDAC1HDAC8HDAC2HDAC3HDAC6 | |
| SCHEMBL8319277 | 0.75 | HDAC1 (0.55) | HDAC1HDAC8HDAC2HDAC3HDAC6 | |
| SCHEMBL5758431 | 0.75 | HPGDS (0.64) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 |
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-2004063169-A1 | HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2004-07-29 | — | — | WO | disclosed |