Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL13201192 | 0.89 | CTSS (0.42) | CTSSDRD2SLC6A4CHRM4HRH2 | |
| SCHEMBL2955859 | 0.84 | ADRA1A (0.38) | CHRM4CYP3A4MAPT | |
| SCHEMBL2955868 | 0.84 | ADRA1A (0.38) | CHRM4CYP3A4MAPT | |
| SCHEMBL2957073 | 0.84 | ADRA1A (0.38) | CHRM4CYP3A4MAPT | |
| SCHEMBL2955865 | 0.84 | ADRA1A (0.38) | CHRM4CYP3A4MAPT | |
| SCHEMBL2957077 | 0.84 | ADRA1A (0.38) | CHRM4CYP3A4MAPT | |
| SCHEMBL2959717 | 0.80 | CTSS (0.42) | CTSSDRD2SLC6A4CHRM4TRPV1 | |
| SCHEMBL2957527 | 0.75 | OPRD1 (0.37) | CTSSKCNH2 | |
| SCHEMBL13221063 | 0.75 | CTSS (0.38) | CTSSDRD2SLC6A4CHRM4CYP3A4 | |
| SCHEMBL5022610 | 0.75 | CTSS (0.36) | CTSSKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |