Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL963949 | 0.83 | ALDH1A1 (0.53) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL30352411 | 0.83 | ALDH1A1 (0.53) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL22978789 | 0.82 | RAB9A (0.56) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL1002985 | 0.82 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL20717842 | 0.81 | RAB9A (0.52) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL22550368 | 0.81 | RAB9A (0.52) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL22550640 | 0.81 | RAB9A (0.52) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL22550491 | 0.80 | RAB9A (0.54) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL22550658 | 0.80 | RAB9A (0.54) | CHRNA7NPC1PKMRAB9AMEN1 | |
| SCHEMBL966665 | 0.78 | NPC1 (0.59) | CHRNA7NPC1PKMRAB9ALMNA |
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-118119626-A | Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors | 豪夫迈·罗氏有限公司 | 2024-05-31 | — | — | CN | disclosed |