Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | MITF | O75030 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP13 | P45452 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29214736 | 1.00 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL29214806 | 0.88 | MMP1 (0.67) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL29214808 | 0.88 | MMP1 (0.67) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL29214847 | 0.87 | MAPT (0.66) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL30869236 | 0.87 | MAPT (0.66) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL29214853 | 0.87 | MAPT (0.66) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL29214971 | 0.84 | HDAC1 (0.67) | ALDH1A1SMN1; SMN2POLBRAB9AHDAC1 | |
| SCHEMBL29214969 | 0.84 | HDAC1 (0.67) | ALDH1A1SMN1; SMN2POLBRAB9AHDAC1 | |
| SCHEMBL29214749 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A | |
| SCHEMBL13446896 | 0.83 | MMP1 (0.73) | ALDH1A1SMN1; SMN2MITFPOLBRAB9A |
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-117777049-B | Thiazolidinedione HDAC inhibitor, preparation method and application | 南京市鸿舜医药科技有限公司 | 2024-05-31 | — | — | CN | claimed |
| CN-117777049-A | Thiazolidinedione HDAC inhibitor, preparation method and application | 南京市鸿舜医药科技有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-117777049-B | Thiazolidinedione HDAC inhibitor, preparation method and application | 南京市鸿舜医药科技有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-117777049-A | Thiazolidinedione HDAC inhibitor, preparation method and application | 南京市鸿舜医药科技有限公司 | 2024-03-29 | — | — | CN | disclosed |