Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 12/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 7/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498348 | 0.85 | PSEN1 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL12688451 | 0.83 | PSEN1 (0.38) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL27896524 | 0.83 | PSEN1 (0.38) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1498370 | 0.82 | NPC1 (0.34) | DRD2HTR2AHTR2CKCNH2NAMPT | |
| Hydrochloric Acid SCHEMBL1498354 | 0.82 | PSEN1 (0.37) | RORCPSEN1PSEN2APH1BNCSTN | |
| Hydrochloric Acid SCHEMBL1498352 | 0.82 | PSEN1 (0.37) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL12692914 | 0.82 | CETP (0.36) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1498438 | 0.80 | TACR1 (0.37) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1498343 | 0.80 | TACR1 (0.37) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1498351 | 0.77 | CETP (0.40) | RORCPSEN1PSEN2APH1BNCSTN |
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-2011035159-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2011-03-24 | — | — | WO | disclosed |