Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23594008 | 0.89 | KCNH2 (0.40) | KCNH2CCR2TLR9TLR8TLR7 | |
| SCHEMBL26445295 | 0.89 | KCNH2 (0.40) | KCNH2CCR2TLR9TLR8TLR7 | |
| SCHEMBL25560657 | 0.89 | TLR9 (0.35) | KCNH2CCR2TLR9TLR8TLR7 | |
| SCHEMBL25560859 | 0.89 | HRH3 (0.37) | KCNH2TLR9TLR8TLR7HRH3 | |
| SCHEMBL14453910 | 0.89 | KCNH2 (0.40) | KCNH2CCR2TLR9TLR8TLR7 | |
| SCHEMBL25561165 | 0.88 | CYP1A2 (0.35) | KCNH2CCR2HRH3 | |
| SCHEMBL25560476 | 0.87 | CCR2 (0.31) | KCNH2CCR2 | |
| SCHEMBL26462407 | 0.82 | CCR2 (0.39) | KCNH2CCR2TLR9TLR8TLR7 | |
| SCHEMBL25461036 | 0.82 | HRH3 (0.40) | KCNH2CCR2TLR9TLR8TLR7 | |
| SCHEMBL26462397 | 0.82 | CCR2 (0.39) | KCNH2CCR2TLR9TLR8TLR7 |
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-2023096995-A1 | COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2023-06-01 | — | — | WO | disclosed |