Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.40 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1306884 | 1.00 | HDAC1 (0.40) | HDAC1HDAC6EHMT1HDAC3HDAC2 | |
| SCHEMBL1306881 | 1.00 | HDAC1 (0.40) | HDAC1HDAC6EHMT1HDAC3HDAC2 | |
| SCHEMBL29488476 | 0.95 | P2RX3 (0.39) | HDAC1HDAC6EHMT1HDAC3HDAC2 | |
| SCHEMBL1306861 | 0.95 | P2RX3 (0.39) | HDAC1HDAC6EHMT1HDAC3HDAC2 | |
| SCHEMBL1306864 | 0.95 | P2RX3 (0.39) | HDAC1HDAC6EHMT1HDAC3HDAC2 | |
| SCHEMBL1306271 | 0.92 | ALDH1A1 (0.43) | P2RX3PREPCASP1CASP3CASP7 | |
| SCHEMBL1306268 | 0.92 | ALDH1A1 (0.43) | P2RX3PREPCASP1CASP3CASP7 | |
| SCHEMBL1306855 | 0.91 | CNR2 (0.39) | P2RX3PREPCASP1CASP3CASP7 | |
| SCHEMBL1306856 | 0.91 | CNR2 (0.39) | P2RX3PREPCASP1CASP3CASP7 | |
| SCHEMBL1306220 | 0.89 | P2RX3 (0.42) | HDAC1HDAC6HDAC3HDAC2HDAC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114340672-A | Pharmaceutical composition comprising an HDAC inhibitor and an anti-PD 1 antibody or an anti-PD-L1 antibody | 晶体基因技术株式会社 | 2022-04-12 | — | — | CN | claimed |
| CN-112930177-B | Pharmaceutical compositions containing alkylcarbamoyl naphthoyl octenoyl hydroxyamide phosphate, tartrate or combinations thereof and methods of making the same | 晶体基因技术株式会社 | 2024-01-30 | — | — | CN | disclosed |
| CN-114340672-A | Pharmaceutical composition comprising an HDAC inhibitor and an anti-PD 1 antibody or an anti-PD-L1 antibody | 晶体基因技术株式会社 | 2022-04-12 | — | — | CN | disclosed |
| CN-110740989-B | Pharmaceutically acceptable salts of alkylcarbamoylnaphthoxyoctenoylhydroxyamides or derivatives thereof and process for preparing the same | 晶体基因技术株式会社 | 2022-03-08 | — | — | CN | disclosed |