Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | PKMYT1 | Q99640 | 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 | |
|---|---|---|---|---|
| SCHEMBL2677290 | 0.87 | ATAD2 (0.43) | ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL577680 | 0.79 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9SCN9AALDH1A1 | |
| SCHEMBL28316717 | 0.75 | HCRTR2 (0.33) | ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28883226 | 0.74 | KMT2A (0.38) | CYP3A4CYP2D6CYP2C9SCN9AALDH1A1 | |
| SCHEMBL3605034 | 0.72 | SMN1; SMN2 (0.46) | CYP3A4CYP2D6CYP2C9ALDH1A1NPC1 | |
| SCHEMBL148961 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4139453 | 0.71 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2KMT2APOLB | |
| Hydrochloric Acid SCHEMBL4139458 | 0.71 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2KMT2APOLB | |
| SCHEMBL13412495 | 0.70 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL25308644 | 0.70 | KDM4E (0.33) | ATAD2NPC1RAB9ASMN1; SMN2MAPK1 |
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-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |