Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 12/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25017615 | 1.00 | HDAC4 (0.35) | HDAC4HDAC6HDAC1HDAC3HDAC7 | |
| SCHEMBL25018136 | 0.98 | HDAC4 (0.34) | HDAC4HDAC6HDAC1HDAC3HDAC7 | |
| SCHEMBL25510935 | 0.94 | HDAC4 (0.34) | HDAC4HDAC6HDAC1 | |
| SCHEMBL25018173 | 0.78 | MAPT (0.33) | HDAC4 | |
| SCHEMBL25018129 | 0.76 | MAPT (0.31) | HDAC4 | |
| SCHEMBL25017787 | 0.76 | HDAC4 (0.35) | HDAC4HDAC6HDAC1HDAC3HDAC7 | |
| SCHEMBL18671633 | 0.73 | NOTUM (0.31) | — | |
| SCHEMBL19087018 | 0.73 | NOTUM (0.31) | — | |
| SCHEMBL25018126 | 0.72 | SLC6A2 (0.30) | HDAC4 | |
| SCHEMBL25017155 | 0.72 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |