Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.54 |
| ▸ | CTSS | P25774 | 5/20 | 0.54 |
| ▸ | MMP1 | P03956 | 3/20 | 0.53 |
| ▸ | MMP3 | P08254 | 3/20 | 0.53 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25139698 | 1.00 | CTSK (0.54) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL24814567 | 0.89 | MMP3 (0.64) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL29178423 | 0.89 | MMP3 (0.64) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL31407745 | 0.88 | CTSK (0.56) | CTSKCTSSPPARAPPARG | |
| SCHEMBL29055935 | 0.88 | CTSK (0.56) | CTSKCTSSPPARAPPARG | |
| SCHEMBL29178415 | 0.87 | PPARA (0.52) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL24814570 | 0.87 | PPARA (0.52) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL24812414 | 0.87 | MMP3 (0.52) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL29178360 | 0.87 | MMP3 (0.52) | CTSKCTSSMMP1MMP3MMP9 | |
| SCHEMBL25312195 | 0.86 | CTSK (0.52) | CTSKCTSSPPARACA2PPARG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117561058-A | CDK2 inhibitors and methods of use thereof | 塞迪拉治疗股份有限公司 | 2024-02-13 | — | — | CN | disclosed |