Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.67 |
| ▸ | MMP2 | P08253 | 1/20 | 0.67 |
| ▸ | MMP13 | P45452 | 1/20 | 0.67 |
| ▸ | MMP14 | P50281 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | MITF | O75030 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | XBP1 | P17861 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | GFER | P55789 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.63 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL29214806 | 1.00 | MMP1 (0.67) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL13446896 | 0.95 | MMP1 (0.73) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL29214736 | 0.88 | ALDH1A1 (0.64) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL29214732 | 0.88 | ALDH1A1 (0.64) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL29214809 | 0.87 | MAPT (0.72) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL30869250 | 0.87 | MAPT (0.72) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL29214805 | 0.87 | MAPT (0.72) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL29214934 | 0.86 | PPARG (0.58) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL29214937 | 0.86 | PPARG (0.58) | MMP1MMP2MMP13MMP14LMNA | |
| SCHEMBL14900942 | 0.85 | SMN1; SMN2 (0.64) | MMP1MMP2MMP13MMP14LMNA |
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 |