Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 18/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 13/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 13/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL22501383 | 0.89 | HDAC1 (0.69) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL22501303 | 0.89 | HDAC3 (0.80) | HDAC1HDAC3HDAC2HDAC8KCNH2 | |
| SCHEMBL17183214 | 0.87 | HDAC1 (0.77) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL29644577 | 0.83 | HDAC1 (0.55) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL22234584 | 0.82 | HDAC1 (0.57) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL22234287 | 0.81 | HDAC1 (0.57) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL24145512 | 0.81 | HDAC3 (0.78) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL22234643 | 0.80 | HDAC1 (0.57) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL15671452 | 0.80 | HDAC1 (0.61) | HDAC1HDAC3HDAC2HDAC8CYP2C9 | |
| SCHEMBL15671455 | 0.80 | HDAC1 (0.61) | HDAC1HDAC3HDAC2HDAC8CYP2C9 |
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-3946324-A1 | INHIBITORS OF HISTONE DEACETYLASE-3 USEFUL FOR THE TREATMENT OF CANCER, INFLAMMATION, NEURODEGENERATION DISEASES AND DIABETES | Merck Sharp & Dohme Corp. (US) | 2022-02-09 | — | — | EP | disclosed |
| WO-2020205688-A1 | INHIBITORS OF HISTONE DEACETYLASE-3 USEFUL FOR THE TREATMENT OF CANCER, INFLAMMATION, NEURODEGENERATION DISEASES AND DIABETES | MERCK SHARP & DOHME CORP. (US) | 2020-10-08 | — | — | WO | disclosed |