Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 2/20 | 0.40 |
| ▸ | CKS1B | P61024 | 2/20 | 0.40 |
| ▸ | SKP1 | P63208 | 2/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22724587 | 0.85 | TLR9 (0.44) | TLR9SMPD3GBA1CKS1BSKP1 | |
| SCHEMBL22720253 | 0.84 | KCNH2 (0.42) | TLR9KCNH2GBA1CKS1BSKP1 | |
| SCHEMBL22720228 | 0.83 | TLR9 (0.42) | TLR9SMPD3GBA1CKS1BSKP1 | |
| SCHEMBL22720285 | 0.79 | KRAS (0.42) | KCNH2 | |
| SCHEMBL22720279 | 0.78 | TLR9 (0.43) | TLR9SMPD3GBA1CKS1BSKP1 | |
| SCHEMBL21734104 | 0.76 | GBA1 (0.44) | TLR9GBA1CKS1BSKP1SKP2 | |
| SCHEMBL18133895 | 0.76 | TLR9 (0.45) | TLR9KCNH2GBA1SUV39H2MAP4K4 | |
| SCHEMBL16637413 | 0.75 | TLR9 (0.53) | TLR9KCNH2GBA1SUV39H2KIT | |
| SCHEMBL22873609 | 0.74 | GPR119 (0.55) | TLR9SMPD3GBA1CKS1BSKP1 | |
| SCHEMBL31652099 | 0.74 | TLR9 (0.54) | TLR9SMPD3GBA1CKS1BSKP1 |
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 5 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 |
| WO-2020239123-A1 | AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |