Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR2A | P27037 | 2/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | IRAK1 | P51617 | 3/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | TTK | P33981 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309478 | 0.87 | IRAK1 (0.34) | ACVR2ATGFBR2CYP2C9KCNH2IRAK1 | |
| SCHEMBL24309990 | 0.83 | CYP19A1 (0.36) | ACVR2ATGFBR2CYP2C9KCNH2 | |
| SCHEMBL24310079 | 0.82 | ACVR2A (0.37) | ACVR2ATGFBR2CYP2C9KCNH2IRAK1 | |
| SCHEMBL24310778 | 0.76 | HTR1A (0.40) | ACVR2ATGFBR2CYP2C9KCNH2IRAK1 | |
| SCHEMBL24309799 | 0.76 | CYP2C9 (0.32) | ACVR2ATGFBR2CYP2C9KCNH2IRAK1 | |
| SCHEMBL24309972 | 0.71 | PIK3CG (0.38) | ACVR2ATGFBR2CYP2C9KCNH2JAK2 | |
| SCHEMBL24310222 | 0.68 | KDM5B (0.30) | — | |
| SCHEMBL26811230 | 0.67 | HTR1A (0.37) | ACVR2ATGFBR2CYP2C9KCNH2JAK1 | |
| SCHEMBL24310706 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL26811264 | 0.67 | PIK3CG (0.38) | ACVR2ATGFBR2CYP2C9KCNH2 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |