Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10146116 | 0.89 | CYP1A2 (0.37) | ALDH1A1CYP1A2MAPK14 | |
| SCHEMBL13618563 | 0.84 | CNR2 (0.33) | — | |
| SCHEMBL10147475 | 0.76 | ALDH1A1 (0.33) | ALDH1A1MAPK14 | |
| SCHEMBL10146118 | 0.75 | CNR2 (0.34) | CYP1A2 | |
| SCHEMBL10147579 | 0.74 | NPC1 (0.33) | MAPK14 | |
| SCHEMBL13618560 | 0.73 | PIK3CG (0.35) | ALDH1A1 | |
| SCHEMBL13618561 | 0.73 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL350815 | 0.73 | CNR2 (0.42) | ALDH1A1MAPK14 | |
| SCHEMBL352888 | 0.73 | MAOA (0.36) | ALDH1A1MAPK14 | |
| SCHEMBL13618718 | 0.72 | BRD4 (0.51) | — |
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-2009140089-A2 | SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-19 | — | — | WO | disclosed |