Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 7/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.35 |
| ▸ | PDE5A | O76074 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24496560 | 1.00 | MAPK14 (0.36) | MAPK14IP6K1CYP2C19CYP1A2POLB | |
| SCHEMBL29596832 | 0.95 | MAPK14 (0.41) | MAPK14PGRPDE4APDE4BPDE4C | |
| SCHEMBL29597305 | 0.95 | MAPK14 (0.41) | MAPK14IP6K1PGRPDE4APDE4B | |
| SCHEMBL24496411 | 0.95 | MAPK14 (0.41) | MAPK14IP6K1PGRPDE4APDE4B | |
| SCHEMBL24496405 | 0.95 | MAPK14 (0.41) | MAPK14PGRPDE4APDE4BPDE4C | |
| SCHEMBL24496419 | 0.93 | MAPK14 (0.40) | MAPK14PGRPDE4APDE4BPDE4C | |
| SCHEMBL29596945 | 0.93 | MAPK14 (0.40) | MAPK14PGRPDE4APDE4BPDE4C | |
| SCHEMBL23778395 | 0.90 | MEN1 (0.36) | MAPK14IP6K1CYP2C19PGRPDE4A | |
| SCHEMBL24496403 | 0.89 | MAPK14 (0.43) | MAPK14IP6K1 | |
| SCHEMBL24496551 | 0.83 | MAPK14 (0.34) | MAPK14CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023011505-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY | 上海和誉生物医药科技有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2022116995-A1 | 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海和誉生物医药科技有限公司 | 2022-06-09 | — | — | WO | disclosed |