Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 4/20 | 0.33 |
| ▸ | TNKS | O95271 | 3/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12732541 | 1.00 | CYP1A1 (0.37) | CYP1A1CYP1B1CYP1A2PTGS1PTGS2 | |
| SCHEMBL13841271 | 0.81 | CYP1A1 (0.45) | CYP1A1CYP1B1NFE2L2PDE2A | |
| SCHEMBL1673838 | 0.81 | CYP1A1 (0.40) | CYP1A1CYP1B1CYP1A2PTGS1PTGS2 | |
| SCHEMBL1673839 | 0.81 | CYP1A1 (0.40) | CYP1A1CYP1B1CYP1A2PTGS1PTGS2 | |
| SCHEMBL1246657 | 0.80 | TNKS (0.37) | CYP1A1CYP1B1PDE2ATNKSPARP1 | |
| SCHEMBL12663410 | 0.76 | — | — | |
| SCHEMBL6967423 | 0.74 | KCNN4 (0.43) | PDE2ATNKSPARP1TNKS2 | |
| SCHEMBL12732543 | 0.73 | GPR183 (0.39) | CYP1A1CYP1B1CYP1A2PTGS1PTGS2 | |
| SCHEMBL7651798 | 0.72 | NFE2L2 (0.61) | CYP1A1CYP1B1PTGS1PTGS2NFE2L2 | |
| SCHEMBL13891146 | 0.72 | NFE2L2 (0.61) | CYP1A1CYP1B1PTGS1PTGS2NFE2L2 |
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-2008156726-A1 | INHIBITORS OF JANUS KINASES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |