Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL25857680 | 0.88 | S1PR1 (0.36) | CACNA2D1TSHR | |
| SCHEMBL31314251 | 0.88 | CACNA2D1 (0.33) | CACNA2D1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL25859156 | 0.87 | CHRNB2 (0.37) | CACNA2D1TSHR | |
| SCHEMBL25857483 | 0.80 | ALOX5AP (0.43) | ADORA2AADORA1ATM | |
| SCHEMBL31314385 | 0.80 | DHFR (0.40) | CACNA2D1TSHR | |
| SCHEMBL25857437 | 0.80 | DHFR (0.40) | CACNA2D1TSHR | |
| SCHEMBL31314375 | 0.80 | ALOX5AP (0.43) | ADORA2AADORA1ATM | |
| SCHEMBL25859255 | 0.79 | CYP1A1 (0.33) | CACNA2D1KMT2A | |
| SCHEMBL25857924 | 0.77 | CACNA2D1 (0.32) | CACNA2D1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL25859817 | 0.77 | — | — |
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-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |