Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A3 | P48764 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL904061 | 0.82 | KIF11 (0.42) | PTGS2PTGS1 | |
| SCHEMBL4717235 | 0.74 | HRH1 (0.56) | SLC9A3PTGS2MAPTSMN1; SMN2GPR119 | |
| Hydrochloric Acid SCHEMBL4105228 | 0.73 | HRH1 (0.54) | SLC9A3PTGS2MAPTSMN1; SMN2GPR119 | |
| SCHEMBL17643355 | 0.72 | GRIN1 (0.44) | EPHX2 | |
| SCHEMBL2114185 | 0.72 | SLC6A4 (0.59) | — | |
| SCHEMBL2114839 | 0.72 | GRIN1 (0.44) | EPHX2 | |
| SCHEMBL2114840 | 0.72 | GRIN1 (0.44) | EPHX2 | |
| SCHEMBL2114187 | 0.72 | SLC6A4 (0.59) | — | |
| SCHEMBL17643108 | 0.72 | GRIN1 (0.44) | EPHX2 | |
| SCHEMBL27669120 | 0.72 | PTGS2 (0.52) | PTGS2PTGS1MAPTSMN1; SMN2GPR119 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |