Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | KAT2B | Q92831 | 6/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | IL1B | P01584 | 1/20 | 0.35 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26436028 | 0.92 | NLRP3 (0.52) | NLRP3KCNH2KAT2BCOMTPDK2 | |
| SCHEMBL26093543 | 0.88 | KCNH2 (0.48) | NLRP3KCNH2KAT2BCOMTIL1B | |
| SCHEMBL30375557 | 0.88 | KCNH2 (0.48) | NLRP3KCNH2KAT2BCOMTIL1B | |
| SCHEMBL26435870 | 0.88 | KCNH2 (0.48) | NLRP3KCNH2KAT2BCOMTIL1B | |
| SCHEMBL26435077 | 0.86 | NLRP3 (0.57) | NLRP3KCNH2IL1BIRAK1KDM4E | |
| SCHEMBL26435322 | 0.86 | NLRP3 (0.44) | NLRP3KCNH2KAT2BIL1BHTT | |
| SCHEMBL26435693 | 0.85 | NLRP3 (0.68) | NLRP3KCNH2IL1BKDM4E | |
| SCHEMBL30375062 | 0.85 | NLRP3 (0.68) | NLRP3KCNH2IL1BKDM4E | |
| SCHEMBL26093704 | 0.85 | NLRP3 (0.68) | NLRP3KCNH2IL1BKDM4E | |
| SCHEMBL26438939 | 0.85 | NLRP3 (0.68) | NLRP3KCNH2IL1BKDM4E |
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-2023066377-A1 | NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 索智生物科技（浙江）有限公司 | 2023-04-27 | — | — | WO | disclosed |