Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL904118 | 0.93 | NR1H2 (0.35) | NR1H2GPR119CYP3A4KCNH2 | |
| SCHEMBL904082 | 0.90 | GPR119 (0.47) | GPR119PTGS2 | |
| SCHEMBL903891 | 0.90 | GPR119 (0.47) | GPR119PTGS2 | |
| SCHEMBL10067702 | 0.88 | GPR119 (0.45) | GPR119CYP3A4KCNH2PTGS2 | |
| SCHEMBL10068069 | 0.88 | GPR119 (0.45) | GPR119CYP3A4KCNH2PTGS2 | |
| SCHEMBL904023 | 0.82 | GPR119 (0.41) | GPR119 | |
| SCHEMBL10067600 | 0.80 | GPR119 (0.44) | GPR119CYP3A4KCNH2 | |
| SCHEMBL903906 | 0.79 | GPR119 (0.51) | GPR119PTGS2 | |
| SCHEMBL10068053 | 0.79 | HRH3 (0.39) | PTGS2PTGS1KIF11 | |
| SCHEMBL903884 | 0.77 | KIF11 (0.41) | PTGS2PTGS1KIF11 |
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 |