Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | AOC2 | O75106 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 5/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25558120 | 0.92 | HRH3 (0.39) | KCNH2HRH3CYP2D6FAAHHTR4 | |
| SCHEMBL25565483 | 0.92 | HRH3 (0.42) | KCNH2HRH3CCR2DPP8DPP7 | |
| SCHEMBL25557772 | 0.90 | CHRNB2 (0.40) | KCNH2HRH3CCR2CYP2D6CHRNB2 | |
| SCHEMBL25558603 | 0.87 | HRH3 (0.41) | KCNH2HRH3CCR2DPP8DPP7 | |
| SCHEMBL25565477 | 0.82 | FAAH (0.38) | KCNH2HRH3CYP2D6CHRNB2CHRNA3 | |
| SCHEMBL22520608 | 0.82 | HRH3 (0.44) | KCNH2HRH3CYP2D6FAAHHTR4 | |
| SCHEMBL25558123 | 0.81 | PIK3CD (0.44) | KCNH2HRH3DPP7CYP2D6DPP4 | |
| SCHEMBL25819446 | 0.81 | CHRNB2 (0.42) | KCNH2HRH3CCR2CYP2D6CHRNB2 | |
| SCHEMBL12413654 | 0.81 | MAPT (0.43) | DPP8DPP7CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL25603936 | 0.80 | KCNH2 (0.47) | KCNH2HRH3CCR2CYP2D6CHRNB2 |
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 |