Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | WNT1 | P04628 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL18012989 | 0.80 | ACHE (0.42) | CYP3A4 | |
| SCHEMBL3656107 | 0.80 | KDM4E (0.42) | CYP3A4TLR9TLR8TLR7 | |
| SCHEMBL13668227 | 0.78 | GNAI3 (0.41) | CYP3A4TLR9TLR8TLR7HTR4 | |
| SCHEMBL20527289 | 0.78 | CYP3A4 (0.35) | CYP3A4TLR9TLR8TLR7HTR4 | |
| SCHEMBL18199688 | 0.78 | HSD11B1 (0.39) | CYP3A4TLR9TLR8TLR7HTR4 | |
| SCHEMBL20118722 | 0.78 | CYP3A4 (0.37) | CYP3A4HTR4WNT1GSK3BDYRK1A | |
| SCHEMBL7749399 | 0.78 | ALDH1A1 (0.37) | CYP3A4MAPK11MAPK14 | |
| SCHEMBL3974524 | 0.78 | ALDH1A1 (0.37) | CYP3A4MAPK11MAPK14 | |
| SCHEMBL20356371 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28990879 | 0.77 | GNAI3 (0.44) | CYP3A4TLR9TLR8TLR7HTR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3919492-A1 | PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR | Medshine Discovery Inc. (CN) | 2021-12-08 | — | — | EP | disclosed |
| WO-2020156453-A1 | PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR | 南京明德新药研发有限公司 | 2020-08-06 | — | — | WO | disclosed |
| WO-2018121766-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITION, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-07-05 | — | — | WO | disclosed |