Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.53 |
| ▸ | CTSS | P25774 | 6/20 | 0.50 |
| ▸ | CTSK | P43235 | 5/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | BCL2 | P10415 | 4/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5163314 | 0.91 | CTSS (0.60) | CTSSCTSKHDAC8PPARGPPARA | |
| SCHEMBL6409791 | 0.91 | CTSS (0.60) | CTSSCTSKHDAC8PPARGPPARA | |
| SCHEMBL27744402 | 0.86 | CTSS (0.59) | CYP17A1CTSSCTSKHDAC8USP30 | |
| SCHEMBL27723742 | 0.86 | CYP17A1 (0.56) | CYP17A1CTSSCTSKHDAC8PPARG | |
| SCHEMBL27723748 | 0.86 | CTSS (0.59) | CYP17A1CTSSCTSKHDAC8USP30 | |
| SCHEMBL3008254 | 0.86 | HDAC8 (0.59) | CTSSCTSKHDAC8PPARGPPARA | |
| SCHEMBL6803446 | 0.86 | HDAC8 (0.64) | CTSSCTSKHDAC8PPARGPPARA | |
| SCHEMBL6803437 | 0.86 | HDAC8 (0.64) | CTSSCTSKHDAC8PPARGPPARA | |
| SCHEMBL3008259 | 0.86 | HDAC8 (0.59) | CTSSCTSKHDAC8PPARGPPARA | |
| SCHEMBL18474966 | 0.85 | PPARG (0.55) | CTSSCTSKHDAC8PPARGPPARA |
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-101253152-A | Amide derivatives as ROCK inhibitors | ASTELLAS PHARMA INC (JP) | 2008-08-27 | — | — | CN | disclosed |