Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9747898 | 0.81 | KCNH2 (0.43) | SIGMAR1KCNH2PPARGIDO1 | |
| SCHEMBL9176981 | 0.78 | SIGMAR1 (0.45) | SIGMAR1KCNH2PPARG | |
| SCHEMBL1841452 | 0.77 | PPARG (0.48) | ADRA1ASLC6A3PPARGPPARASMN1; SMN2 | |
| SCHEMBL1836292 | 0.75 | SMN1; SMN2 (0.47) | ADRA1ASLC6A3SMN1; SMN2 | |
| SCHEMBL4552959 | 0.75 | CETP (0.43) | SIGMAR1L3MBTL1 | |
| SCHEMBL1837179 | 0.74 | TRPA1 (0.49) | SMN1; SMN2 | |
| SCHEMBL1838373 | 0.74 | TRPA1 (0.49) | SMN1; SMN2 | |
| SCHEMBL1954977 | 0.74 | TRPA1 (0.49) | SMN1; SMN2 | |
| SCHEMBL1834479 | 0.74 | TRPA1 (0.49) | SMN1; SMN2 | |
| SCHEMBL3481657 | 0.73 | KCNH2 (0.45) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 |
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-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |