Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 8/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL22013719 | 0.89 | AKR1C3 (0.34) | EPHX2NR1H4CA2CA1AKR1C3 | |
| SCHEMBL20698926 | 0.84 | CA2 (0.34) | EPHX2NR1H4CA2CA1CA9 | |
| SCHEMBL29927632 | 0.80 | CA2 (0.41) | EPHX2NR1H4CA2CA1HSD11B1 | |
| SCHEMBL19507908 | 0.80 | CA2 (0.41) | EPHX2NR1H4CA2CA1HSD11B1 | |
| SCHEMBL20680978 | 0.79 | APLNR (0.33) | EPHX2NR1H4CA2AKR1C3AKR1C2 | |
| SCHEMBL25033452 | 0.76 | NLRP3 (0.38) | CA2 | |
| SCHEMBL30243978 | 0.76 | NLRP3 (0.38) | CA2 | |
| SCHEMBL21892944 | 0.76 | NLRP3 (0.38) | CA2 | |
| SCHEMBL20692357 | 0.76 | NLRP3 (0.38) | CA2 | |
| SCHEMBL21810663 | 0.76 | NLRP3 (0.47) | CA2 |
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 |