Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | BPTF | Q12830 | 1/20 | 0.31 |
| ▸ | EEF2K | O00418 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24978541 | 0.83 | SMN1; SMN2 (0.39) | SMN1; SMN2L3MBTL1NLRP3CYP1A2CYP2C19 | |
| SCHEMBL22019979 | 0.81 | ACHE (0.46) | SMN1; SMN2L3MBTL1NLRP3MAPK1MEN1 | |
| SCHEMBL30162299 | 0.81 | ACHE (0.46) | SMN1; SMN2L3MBTL1NLRP3MAPK1MEN1 | |
| SCHEMBL22020383 | 0.81 | NLRP3 (0.44) | SMN1; SMN2L3MBTL1NLRP3CYP1A2CYP2C19 | |
| SCHEMBL22019708 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2L3MBTL1CYP1A2CYP2C19LMNA | |
| SCHEMBL22019726 | 0.78 | KDM4E (0.39) | SMN1; SMN2L3MBTL1CYP1A2KDM4EMAPK1 | |
| SCHEMBL22020067 | 0.77 | KDM4E (0.36) | NLRP3CYP1A2KDM4EMAPK1ALDH1A1 | |
| SCHEMBL21963408 | 0.76 | NLRP3 (0.52) | SMN1; SMN2L3MBTL1NLRP3CYP1A2TP53 | |
| SCHEMBL22020718 | 0.76 | SMN1; SMN2 (0.43) | SMN1; SMN2L3MBTL1CYP1A2CYP2C19LMNA | |
| SCHEMBL22020719 | 0.73 | SMN1; SMN2 (0.41) | SMN1; SMN2L3MBTL1CYP1A2LMNATP53 |
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 |