Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL22013670 | 0.86 | CA2 (0.38) | CA2CA1 | |
| SCHEMBL29222352 | 0.76 | NR1I2 (0.37) | CA2LOXNPC1ALDH1A1PLA2G1B | |
| SCHEMBL23569830 | 0.75 | CA2 (0.42) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL20692097 | 0.74 | CA2 (0.43) | CA2 | |
| SCHEMBL23569834 | 0.72 | CA2 (0.36) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL23569835 | 0.71 | CA2 (0.39) | CA2CA1CA9 | |
| SCHEMBL7144702 | 0.70 | CA2 (0.51) | CA2CA1CA9 | |
| SCHEMBL22019971 | 0.70 | CA2 (0.37) | CA2 | |
| SCHEMBL22020012 | 0.69 | CA2 (0.32) | CA2 | |
| SCHEMBL23569065 | 0.67 | CA2 (0.34) | CA2CA1CA9 |
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 |