Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | CTSC | P53634 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
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 | 0.83 | KIF11 (0.42) | SLC6A2SLC6A4SLC6A3KIF11PTGS2 | |
| SCHEMBL10068048 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNA4CTSKCTSCKIF11 | |
| SCHEMBL720234 | 0.80 | KIF11 (0.44) | KIF11PTGS2 | |
| SCHEMBL720365 | 0.80 | KIF11 (0.44) | KIF11PTGS2 | |
| SCHEMBL718908 | 0.80 | PTGS2 (0.46) | KIF11PTGS2 | |
| SCHEMBL721461 | 0.79 | PTGS1 (0.44) | KIF11PTGS2 | |
| SCHEMBL903887 | 0.74 | GPR119 (0.53) | — | |
| SCHEMBL10067772 | 0.72 | PTGS2 (0.57) | KIF11PTGS2 | |
| SCHEMBL719074 | 0.72 | PTGS2 (0.37) | CTSKCTSCKIF11PTGS2 | |
| SCHEMBL720225 | 0.72 | GPR119 (0.44) | PTGS2 |
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 |