Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 8/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28560910 | 0.84 | PPARG (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL28564069 | 0.80 | GRM5 (0.36) | CYP3A4LMNATDP1GRM5 | |
| SCHEMBL160137 | 0.79 | — | — | |
| SCHEMBL693394 | 0.78 | CYP1A1 (0.41) | CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4 | |
| SCHEMBL28550773 | 0.78 | TLR8 (0.42) | CYP11B1CYP11B2CYP3A4CYP1A2 | |
| SCHEMBL8126363 | 0.76 | LMNA (0.61) | CYP11B1CYP11B2LMNATDP1GRM5 | |
| SCHEMBL28575004 | 0.75 | S1PR2 (0.34) | CYP3A4LMNATDP1 | |
| SCHEMBL28559740 | 0.74 | LOX (0.38) | — | |
| SCHEMBL30864880 | 0.73 | GRM5 (0.48) | CYP11B1CYP11B2CYP17A1CYP3A4ROCK2 | |
| SCHEMBL27314075 | 0.73 | GRM5 (0.48) | CYP11B1CYP11B2CYP17A1CYP3A4ROCK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574200-B | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 安润医药科技（苏州）有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-112574200-A | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 安润医药科技（苏州）有限公司 | 2021-03-30 | — | — | CN | disclosed |