Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 9/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | STK4 | Q13043 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29722220 | 0.84 | TGFBR1 (0.37) | PIK3CDCYP2A6TGFBR1TGFBR2PIK3R1 | |
| SCHEMBL29721902 | 0.82 | TGFBR1 (0.38) | CYP2A6TGFBR1TGFBR2 | |
| SCHEMBL29722090 | 0.80 | TGFBR1 (0.40) | TGFBR1TGFBR2 | |
| SCHEMBL29722172 | 0.79 | TGFBR1 (0.35) | PIK3CDCYP2A6TGFBR1CYP11B2PIK3R1 | |
| SCHEMBL29722118 | 0.79 | SCN9A (0.38) | PIK3CDCYP2A6TGFBR1TGFBR2 | |
| SCHEMBL28734418 | 0.78 | PIK3CD (0.36) | PIK3CDCYP2A6TGFBR1TGFBR2STK4 | |
| SCHEMBL28734453 | 0.78 | TGFBR1 (0.36) | CYP2A6TGFBR1TGFBR2ADORA2AADORA1 | |
| SCHEMBL28734414 | 0.78 | TGFBR1 (0.41) | TGFBR1TGFBR2STK4 | |
| SCHEMBL29722165 | 0.78 | PIK3CD (0.36) | PIK3CDCYP2A6TGFBR1TGFBR2STK4 | |
| SCHEMBL29722203 | 0.78 | TGFBR1 (0.34) | PIK3CDCYP2A6TGFBR1CYP11B2PIK3R1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114380845-A | Heterocyclic-fused compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-04-22 | — | — | CN | disclosed |