Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 3/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16124948 | 0.78 | CA2 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2646286 | 0.77 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17527530 | 0.77 | HTR6 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL24899755 | 0.75 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL17642663 | 0.75 | CA1 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17290670 | 0.74 | — | — | |
| SCHEMBL20300340 | 0.74 | CA2 (0.38) | CA1CA2CA9CA12 | |
| SCHEMBL25042622 | 0.74 | ENPP2 (0.57) | CA1CA2ENPP2 | |
| SCHEMBL31726537 | 0.74 | CA2 (0.52) | CA1CA2MMP2MMP9PRSS1 | |
| SCHEMBL24899889 | 0.71 | CA12 (0.32) | CA1CA2CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023284869-A1 | SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-01-19 | — | — | WO | disclosed |