Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 5/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26295566 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL26295552 | 0.84 | CHRNB2 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15218142 | 0.84 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL26295667 | 0.84 | HRH3 (0.45) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12449169 | 0.82 | HSD11B1 (0.49) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12308326 | 0.82 | HSD11B1 (0.49) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14453854 | 0.80 | CHRNB2 (0.52) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL26295565 | 0.80 | CHRNB2 (0.52) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL22317563 | 0.79 | HRH3 (0.35) | HRH3KCNH2CYP2D6ALDH1A1 | |
| SCHEMBL21287989 | 0.77 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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 |