Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | MMP14 | P50281 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.51 |
| ▸ | MITF | O75030 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.49 |
| ▸ | PLEC | Q15149 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30869257 | 1.00 | MMP1 (0.54) | MMP1MMP2MMP13MMP14MAPT | |
| SCHEMBL29214795 | 1.00 | MMP1 (0.54) | MMP1MMP2MMP13MMP14MAPT | |
| SCHEMBL29214754 | 0.89 | ALDH1A1 (0.48) | MMP1MMP2MMP13MMP14MITF | |
| SCHEMBL29214749 | 0.89 | ALDH1A1 (0.48) | MMP1MMP2MMP13MMP14MITF | |
| SCHEMBL30869230 | 0.89 | ALDH1A1 (0.48) | MMP1MMP2MMP13MMP14MITF | |
| SCHEMBL30869255 | 0.88 | MAPT (0.52) | MMP1MMP2MMP13MMP14MAPT | |
| SCHEMBL29214836 | 0.88 | MAPT (0.52) | MMP1MMP2MMP13MMP14MAPT | |
| SCHEMBL29214842 | 0.88 | MAPT (0.52) | MMP1MMP2MMP13MMP14MAPT | |
| SCHEMBL29214806 | 0.84 | MMP1 (0.67) | MMP1MMP2MMP13MMP14MAPT | |
| SCHEMBL29214808 | 0.84 | MMP1 (0.67) | MMP1MMP2MMP13MMP14MAPT |
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 2 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 | 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 |