Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | GUSB | P08236 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL30108839 | 0.84 | ACHE (0.38) | NLRP3ACHECRHR1SCN9AKMT2A | |
| SCHEMBL28934716 | 0.80 | ACHE (0.37) | ACHECRHR1GUSBSCN9AKMT2A | |
| SCHEMBL26134941 | 0.79 | MAOA (0.37) | ACHECRHR1SCN9ASMN1; SMN2CYP2D6 | |
| SCHEMBL28934693 | 0.79 | KDM4E (0.38) | ACHECRHR1GUSBSCN9AKMT2A | |
| SCHEMBL30108637 | 0.79 | MAOA (0.37) | ACHECRHR1GUSBSCN9ASMN1; SMN2 | |
| SCHEMBL30108817 | 0.76 | STAT3 (0.35) | ACHECRHR1GUSBKMT2AALDH1A1 | |
| SCHEMBL28963081 | 0.76 | SCN9A (0.40) | CRHR1SCN9A | |
| SCHEMBL30108705 | 0.75 | KMT2A (0.47) | KMT2AGAAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL30108755 | 0.75 | KMT2A (0.47) | KMT2AGAAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL30108716 | 0.73 | ACHE (0.38) | ACHECRHR1GUSBSCN9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |