Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 8/20 | 0.34 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 10/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22012702 | 1.00 | MMP13 (0.34) | MMP13MMP1CA2CA1CA9 | |
| SCHEMBL22012705 | 1.00 | MMP13 (0.34) | MMP13MMP1CA2CA1CA9 | |
| SCHEMBL22012688 | 0.85 | MMP1 (0.30) | MMP13MMP1 | |
| SCHEMBL21962361 | 0.83 | CA2 (0.34) | MMP13CA2CA1CA9CA12 | |
| SCHEMBL21962357 | 0.83 | CA2 (0.34) | MMP13CA2CA1CA9CA12 | |
| SCHEMBL22012704 | 0.82 | MMP13 (0.36) | MMP13MMP1 | |
| SCHEMBL24528859 | 0.69 | AAK1 (0.39) | — | |
| SCHEMBL24528858 | 0.68 | BCL2A1 (0.39) | — | |
| SCHEMBL21962359 | 0.67 | CA2 (0.35) | CA2CA1CA9CA12CA4 | |
| SCHEMBL24528864 | 0.67 | BCL2A1 (0.43) | — |
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-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |