Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 17/20 | 0.46 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29548605 | 1.00 | BRD4 (0.46) | BRD4EPAS1MAPK14PTGS2 | |
| SCHEMBL29548745 | 0.89 | PTGS2 (0.51) | BRD4EPAS1MAPK14PTGS2 | |
| SCHEMBL28721123 | 0.89 | PTGS2 (0.51) | BRD4EPAS1MAPK14PTGS2 | |
| SCHEMBL29549377 | 0.84 | BRD4 (0.51) | BRD4EPAS1MAPK14PTGS2 | |
| SCHEMBL28720338 | 0.84 | BRD4 (0.51) | BRD4EPAS1MAPK14PTGS2 | |
| SCHEMBL28718898 | 0.83 | EPAS1 (0.47) | BRD4EPAS1MAPK14 | |
| SCHEMBL29549178 | 0.83 | EPAS1 (0.47) | BRD4EPAS1MAPK14 | |
| SCHEMBL16335784 | 0.83 | BRD4 (0.56) | BRD4EPAS1MAPK14 | |
| SCHEMBL20443103 | 0.82 | HTR1A (0.38) | BRD4EPAS1MAPK14PTGS2 | |
| SCHEMBL28721142 | 0.81 | BRD4 (0.46) | BRD4MAPK14 |
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-110041253-B | Pyridine N-oxide derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-109836385-B | Tetrahydroquinoline N-oxide derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-110198941-B | Pyrrolopyridine N-oxide derivative and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-09-28 | — | — | CN | disclosed |
| WO-2018137655-A1 | PYRROLO-PYRIDINES N-OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-08-02 | — | — | WO | disclosed |