Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | MMP1 | P03956 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23795403 | 1.00 | MMP13 (0.43) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL24178165 | 1.00 | MMP13 (0.43) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL24177988 | 0.90 | MMP13 (0.41) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL23795385 | 0.90 | MMP13 (0.41) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL23795420 | 0.89 | MMP13 (0.45) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL23810437 | 0.89 | MMP13 (0.45) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL30439166 | 0.83 | MMP1 (0.47) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL24177901 | 0.82 | HTR6 (0.39) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL23795379 | 0.82 | HTR6 (0.39) | MMP13MMP1MMP9HTR6ADAM17 | |
| SCHEMBL23810433 | 0.81 | HTR6 (0.38) | MMP13MMP1MMP9HTR6ADAM17 |
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-111116555-B | Rho kinase inhibitor and preparation method and application thereof | 北京盈科瑞创新药物研究有限公司 | 2023-06-02 | — | — | CN | disclosed |