Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | SMPD3 | Q9NY59 | 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 | |
|---|---|---|---|---|
| SCHEMBL22720279 | 0.92 | TLR9 (0.43) | TLR9TLR7GBA1SMPD3 | |
| SCHEMBL28542868 | 0.82 | KRAS (0.39) | — | |
| SCHEMBL28542866 | 0.82 | KRAS (0.39) | — | |
| SCHEMBL29127300 | 0.82 | TLR9 (0.35) | TLR9TLR7HTR2CSLC6A4CACNA1G | |
| SCHEMBL28530744 | 0.77 | TLR9 (0.35) | TLR9TLR7HTR2CSLC6A4 | |
| SCHEMBL28544155 | 0.77 | TLR9 (0.35) | TLR9TLR7HTR2CSLC6A4 | |
| SCHEMBL22720268 | 0.75 | KRAS (0.39) | TLR9 | |
| SCHEMBL22720270 | 0.72 | KRAS (0.37) | — | |
| SCHEMBL22720265 | 0.70 | TLR9 (0.40) | TLR9TLR7 | |
| SCHEMBL22720236 | 0.69 | TLR9 (0.44) | TLR9TLR7GBA1SMPD3 |
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-113396147-A | Aromatic heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-112552294-A | Piperazine heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-03-26 | — | — | CN | disclosed |