Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLRA1 | P23415 | 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 | |
|---|---|---|---|---|
| SCHEMBL21997230 | 0.84 | PDK1 (0.37) | PDK1 | |
| SCHEMBL15920658 | 0.84 | PDK1 (0.37) | PDK1 | |
| SCHEMBL21997852 | 0.84 | PDK1 (0.37) | PDK1 | |
| SCHEMBL22168147 | 0.81 | PDK1 (0.39) | PDK1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL28619043 | 0.81 | PDK1 (0.39) | PDK1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL26079269 | 0.78 | DPP4 (0.32) | PDK1KDM4E | |
| SCHEMBL15920687 | 0.78 | USP2 (0.51) | SMN1; SMN2KDM4E | |
| SCHEMBL15920689 | 0.78 | USP2 (0.51) | SMN1; SMN2KDM4E | |
| SCHEMBL15920709 | 0.78 | USP2 (0.51) | SMN1; SMN2KDM4E | |
| SCHEMBL6868433 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4 |
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-112409331-B | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-113549068-B | Novel imidazopyridine compound, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2022-12-02 | — | — | CN | disclosed |
| WO-2022117062-A1 | FUSED TRICYCLIC RING-CONTAINING COMPOUNDS AND PHARMACEUTICAL USE THEREOF | 上海拓界生物医药科技有限公司 | 2022-06-09 | — | — | WO | disclosed |
| CN-113549068-A | Novel imidazopyridine compound, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-02-26 | — | — | CN | disclosed |