Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | VEGFA | P15692 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LYN | P07948 | 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 | |
|---|---|---|---|---|
| SCHEMBL28565675 | 0.84 | CHRNB2 (0.39) | CYP3A4LMNATDP1CHRNB2CHRNB4 | |
| SCHEMBL28564069 | 0.80 | GRM5 (0.36) | CYP3A4LMNATDP1 | |
| SCHEMBL21630305 | 0.78 | TEAD4 (0.44) | HTTMEN1KMT2ATDP1 | |
| SCHEMBL28550773 | 0.78 | TLR8 (0.42) | CYP3A4 | |
| SCHEMBL8126363 | 0.76 | LMNA (0.61) | HTTLMNATDP1 | |
| SCHEMBL28575004 | 0.75 | S1PR2 (0.34) | CYP3A4LMNATDP1 | |
| SCHEMBL21630316 | 0.71 | CHRNB2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL28559740 | 0.71 | LOX (0.38) | PPARGP2RX3 | |
| SCHEMBL4156310 | 0.71 | LTA4H (0.48) | CYP3A4HTTMEN1KMT2AGAA | |
| SCHEMBL11490612 | 0.71 | LTA4H (0.48) | PPARGXDHSLC22A12HTTLMNA |
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 |