Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28530744 | 1.00 | TLR9 (0.35) | TLR9TLR7CXCR2RAB9ATP53 | |
| SCHEMBL22720265 | 0.94 | TLR9 (0.40) | TLR9TLR7CXCR2TP53 | |
| SCHEMBL22720267 | 0.89 | HTR2C (0.31) | TLR9TLR7RAB9AHTR2AHTR2C | |
| SCHEMBL22724634 | 0.83 | KRAS (0.39) | TLR9TLR7CXCR2HTR2AHTR2C | |
| SCHEMBL28537273 | 0.77 | TLR9 (0.35) | TLR9TLR7HTR2CSLC6A4 | |
| SCHEMBL22720279 | 0.70 | TLR9 (0.43) | TLR9TLR7MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL29127300 | 0.67 | TLR9 (0.35) | TLR9TLR7HTR2CSLC6A4SMN1; SMN2 | |
| SCHEMBL12454614 | 0.65 | RIPK1 (0.46) | RAB9AHTR2AHTR2CSLC6A4ALDH1A1 | |
| SCHEMBL28542866 | 0.65 | KRAS (0.39) | — | |
| SCHEMBL28542868 | 0.65 | KRAS (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113396147-B | Aromatic heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-112552294-B | Piperazine heterocyclic derivative-containing inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-19 | — | — | CN | disclosed |
| 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 |