Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | CNOT7 | Q9UIV1 | 3/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746868 | 0.76 | NOS1 (0.39) | L3MBTL1HDAC2HDAC1P2RX7CNOT7 | |
| SCHEMBL19746867 | 0.76 | NOS1 (0.39) | L3MBTL1HDAC2HDAC1P2RX7CNOT7 | |
| SCHEMBL19746854 | 0.75 | CNOT7 (0.47) | HDAC6HDAC2HDAC8HDAC1HDAC11 | |
| SCHEMBL19746202 | 0.75 | MCHR1 (0.43) | L3MBTL1HDAC6HDAC2HDAC8HDAC1 | |
| SCHEMBL17554285 | 0.73 | EP300 (0.44) | L3MBTL1P2RX7DAOGSK3AGSK3B | |
| SCHEMBL19746414 | 0.73 | P2RX7 (0.46) | L3MBTL1P2RX7CNOT7DAOKDM4E | |
| SCHEMBL19746431 | 0.70 | GRM2 (0.41) | L3MBTL1HDAC6P2RX7DAOKDM4E | |
| SCHEMBL19747231 | 0.69 | HTT (0.39) | L3MBTL1HDAC6P2RX7CNOT7DAO | |
| SCHEMBL19747232 | 0.69 | HTT (0.39) | L3MBTL1HDAC6P2RX7CNOT7DAO | |
| SCHEMBL1607582 | 0.68 | HDAC8 (0.44) | L3MBTL1HDAC6HDAC2HDAC8HDAC1 |
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-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |