Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20542578 | 0.85 | TDP1 (0.52) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL31289385 | 0.82 | MITF (0.53) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL28945868 | 0.81 | MAPT (0.42) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL26661424 | 0.79 | CYP1A2 (0.46) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27519597 | 0.78 | POLB (0.57) | NPC1POLB | |
| SCHEMBL25381461 | 0.77 | CYP17A1 (0.52) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL14189703 | 0.77 | HDAC3 (0.45) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL13754456 | 0.77 | CA2 (0.50) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL17060910 | 0.76 | P4HTM (0.37) | HDAC8HDAC3HDAC1HDAC6NCOR2 | |
| SCHEMBL23090522 | 0.76 | HDAC8 (0.44) | HDAC8HDAC3HDAC1HDAC2HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115636817-A | Isatin derivative containing triazole ring and preparation method and application thereof | 山东大学 | 2023-01-24 | — | — | CN | claimed |
| CN-115636817-A | Isatin derivative containing triazole ring and preparation method and application thereof | 山东大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-109705095-B | Fused ring p-benzoquinone CDC25 protein phosphatase inhibitor containing triazole ring, and preparation method and application thereof | 山东大学 | 2021-06-08 | — | — | CN | disclosed |