Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 16/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 10/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21478330 | 0.81 | HDAC6 (0.50) | HDAC6HDAC1HDAC8HDAC4HDAC3 | |
| SCHEMBL25124405 | 0.78 | HDAC6 (0.60) | HDAC6HDAC1HDAC8HDAC4 | |
| SCHEMBL24169032 | 0.77 | HDAC6 (0.59) | HDAC6HDAC1HDAC8HDAC4 | |
| SCHEMBL20184021 | 0.76 | HDAC6 (0.53) | HDAC6HDAC1HDAC8HDAC4HDAC5 | |
| SCHEMBL21407229 | 0.76 | HDAC6 (0.63) | HDAC6HDAC1HDAC8HDAC4 | |
| SCHEMBL29393995 | 0.76 | HDAC6 (0.63) | HDAC6HDAC1HDAC8HDAC4 | |
| SCHEMBL19746136 | 0.76 | HDAC6 (0.57) | HDAC6HDAC1HDAC8HDAC4HDAC5 | |
| SCHEMBL19746416 | 0.74 | HDAC6 (0.65) | HDAC6HDAC1HDAC8HDAC4HDAC3 | |
| SCHEMBL25124289 | 0.74 | HTT (0.55) | HDAC6HDAC1HDAC8HDAC4 | |
| SCHEMBL22074668 | 0.73 | HDAC6 (0.57) | HDAC6HDAC1HDAC8HDAC4HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | claimed |
| WO-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |