Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31314251 | 0.89 | CACNA2D1 (0.33) | CACNA2D1TSHR | |
| SCHEMBL25859018 | 0.88 | CACNA2D1 (0.34) | CACNA2D1TSHR | |
| SCHEMBL25859156 | 0.84 | CHRNB2 (0.37) | CACNA2D1TSHR | |
| SCHEMBL25857437 | 0.81 | DHFR (0.40) | AGPAT2CACNA2D1TSHRSMN1; SMN2NPSR1 | |
| SCHEMBL31314385 | 0.81 | DHFR (0.40) | AGPAT2CACNA2D1TSHRSMN1; SMN2NPSR1 | |
| SCHEMBL25857483 | 0.81 | ALOX5AP (0.43) | — | |
| SCHEMBL31314375 | 0.81 | ALOX5AP (0.43) | — | |
| SCHEMBL24696097 | 0.76 | NLRP3 (0.42) | HSP90AB1NSD2EGLN2KDM4E | |
| SCHEMBL31197264 | 0.75 | CCNK (0.47) | — | |
| SCHEMBL28934506 | 0.74 | PDE5A (0.42) | S1PR1TRPV4CYP19A1CYP11B1CYP11B2 |
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 |