Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 8/20 | 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 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | IL1B | P01584 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26437270 | 0.89 | NLRP3 (0.42) | NLRP3KCNH2IDH1CNR1MAPK8 | |
| SCHEMBL26437242 | 0.84 | NLRP3 (0.53) | NLRP3KCNH2IDH1TNFIL1B | |
| SCHEMBL26092528 | 0.84 | NLRP3 (0.53) | NLRP3KCNH2IDH1TNFIL1B | |
| SCHEMBL30375457 | 0.84 | NLRP3 (0.53) | NLRP3KCNH2IDH1TNFIL1B | |
| SCHEMBL26434253 | 0.83 | IL1B (0.41) | NLRP3KCNH2IDH1KDM4EMEN1 | |
| SCHEMBL26093102 | 0.83 | NLRP3 (0.49) | NLRP3KCNH2IDH1CNR1KDM4E | |
| SCHEMBL26434542 | 0.83 | NLRP3 (0.49) | NLRP3KCNH2IDH1CNR1KDM4E | |
| SCHEMBL30375553 | 0.83 | NLRP3 (0.49) | NLRP3KCNH2IDH1CNR1KDM4E | |
| SCHEMBL26437579 | 0.82 | NLRP3 (0.55) | NLRP3KCNH2CNR1KDM4EMEN1 | |
| SCHEMBL30375383 | 0.81 | IL1B (0.43) | NLRP3KCNH2CNR1SYKTNF |
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 |