Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27718626 | 0.88 | HTR7 (0.47) | CHRM3SMOCYP46A1ADRA1DADRA1A | |
| SCHEMBL27644615 | 0.81 | NPC1 (0.39) | CHRM3SMOKDM4EALDH1A1 | |
| SCHEMBL27790954 | 0.78 | GAA (0.51) | CHRM3BCHEACHEKDM4EALDH1A1 | |
| SCHEMBL28558686 | 0.78 | HRH3 (0.40) | SMOADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL27698093 | 0.75 | HTR7 (0.43) | OPRK1ROCK2ROCK1CDC42BPBCYP1A2 | |
| SCHEMBL28552653 | 0.74 | CTSB (0.41) | SMOADRA1DADRA1AADRA1BALDH1A1 | |
| SCHEMBL27769919 | 0.74 | KMT2A (0.46) | ALDH1A1 | |
| SCHEMBL27643781 | 0.72 | TRPV1 (0.56) | — | |
| SCHEMBL28896953 | 0.71 | MCHR1 (0.35) | CHRM3SMOBCHEKDM4EALDH1A1 | |
| SCHEMBL28856275 | 0.70 | GPR119 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137628-A | Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators | ASTRAZENECA AB (SE) | 2008-03-05 | — | — | CN | disclosed |