Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL705546 | 0.84 | NFE2L2 (0.55) | NFE2L2PTGS1PTGS2ALDH1A1CYP3A4 | |
| SCHEMBL705547 | 0.84 | NFE2L2 (0.55) | NFE2L2PTGS1PTGS2ALDH1A1CYP3A4 | |
| SCHEMBL8956862 | 0.81 | GPR183 (0.39) | NFE2L2PTGS1PTGS2RAB9AALDH1A1 | |
| SCHEMBL22038315 | 0.81 | NFE2L2 (0.50) | NFE2L2PTGS1PTGS2CYP1A1CYP1B1 | |
| SCHEMBL8956869 | 0.81 | GPR183 (0.39) | NFE2L2PTGS1PTGS2RAB9AALDH1A1 | |
| SCHEMBL28591692 | 0.81 | PTGS1 (0.42) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL17495221 | 0.81 | HDAC3 (0.42) | NFE2L2PTGS1PTGS2HTR2AHTR2C | |
| SCHEMBL2090395 | 0.80 | NFE2L2 (0.55) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL7726452 | 0.80 | NFE2L2 (0.55) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL256688 | 0.80 | NFE2L2 (0.55) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1824817-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006059149-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-08 | — | — | WO | disclosed |