Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223579 | 0.90 | NLRP3 (0.56) | NLRP3ALOX15CYP2C19MAPTSCN3A | |
| SCHEMBL7218234 | 0.89 | L3MBTL1 (0.46) | NLRP3TDP1MAPTLMNAALDH1A1 | |
| SCHEMBL7223730 | 0.89 | ALOX15 (0.52) | NLRP3ALOX15CYP2C19TSHRHIF1A | |
| SCHEMBL7224293 | 0.86 | SMN1; SMN2 (0.54) | NLRP3TDP1MAPTLMNAMEN1 | |
| SCHEMBL7223137 | 0.86 | NAMPT (0.41) | NLRP3ALOX15LMNAALDH1A1MEN1 | |
| SCHEMBL7217374 | 0.82 | NLRP3 (0.43) | NLRP3CA2ALOX15CYP2C19TDP1 | |
| SCHEMBL4210730 | 0.81 | ALDH1A1 (0.52) | CYP2C19TDP1LMNAALDH1A1CYP1A2 | |
| SCHEMBL7217353 | 0.80 | HPGD (0.38) | NLRP3ALOX15CYP2C19TSHRMAPT | |
| SCHEMBL7219357 | 0.80 | KCNJ11 (0.56) | — | |
| SCHEMBL7218407 | 0.78 | LMNA (0.40) | NLRP3TSHRMAPTLMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6521603-B2 | Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring | MONSANTO TECHNOLOGY LLC | 2003-02-18 | — | — | US | claimed |