Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | CCR4 | P51679 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.34 |
| ▸ | SQSTM1 | Q13501 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4240630 | 0.99 | CYP2C9 (0.39) | CYP2C19CYP2C9EDNRBEDNRALMNA | |
| SCHEMBL1031352 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9EDNRBEDNRALMNA | |
| SCHEMBL1032277 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9EDNRBEDNRALMNA | |
| SCHEMBL4045301 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9EDNRBEDNRALMNA | |
| Hydrochloric Acid SCHEMBL4249141 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9LMNASMN1; SMN2TSHR | |
| SCHEMBL1027217 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9EDNRBEDNRALMNA | |
| Hydrochloric Acid SCHEMBL4249120 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9LMNASMN1; SMN2TSHR | |
| SCHEMBL1031793 | 0.91 | LMNA (0.35) | CYP2C19CYP2C9EDNRBEDNRALMNA | |
| SCHEMBL1031114 | 0.90 | TRPV1 (0.37) | EDNRBEDNRALMNASMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL4244120 | 0.90 | LMNA (0.34) | CYP2C19CYP2C9EDNRBEDNRALMNA |
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-2013179-B1 | ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2011-01-19 | — | — | EP | disclosed |