Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 7/20 | 0.35 |
| ▸ | BCHE | P06276 | 5/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL30162186 | 0.82 | ACHE (0.39) | NOS3NOS1NOS2ACHEBCHE | |
| SCHEMBL21963370 | 0.82 | ACHE (0.39) | NOS3NOS1NOS2ACHEBCHE | |
| SCHEMBL526538 | 0.74 | NOS3 (0.55) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL22020717 | 0.74 | NOS3 (0.50) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL22020649 | 0.71 | GAA (0.35) | NPC1RAB9AACHEKDM4EMAPT | |
| SCHEMBL526208 | 0.71 | NOS3 (0.51) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL22020056 | 0.71 | KMT2A (0.36) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL20416983 | 0.70 | NOS3 (0.59) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL22019991 | 0.68 | KMT2A (0.33) | NOS3NOS1NOS2ACHEKDM4E | |
| SCHEMBL21963362 | 0.68 | ACHE (0.46) | NOS3NOS1NOS2ACHEBCHE |
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-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |