Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11236944 | 0.92 | SIGMAR1 (0.51) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL11428831 | 0.92 | KCNH2 (0.49) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL17060495 | 0.89 | SIGMAR1 (0.52) | ADRA1ASLC6A3SIGMAR1L3MBTL1MAOA | |
| SCHEMBL5386905 | 0.87 | TP53 (0.44) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL9403472 | 0.87 | SIGMAR1 (0.50) | ADRA1ASLC6A3SIGMAR1L3MBTL1MAOA | |
| SCHEMBL8143017 | 0.85 | CHRM2 (0.48) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL5391024 | 0.83 | SIGMAR1 (0.48) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL30980105 | 0.82 | MAOA (0.56) | SIGMAR1L3MBTL1MAOA | |
| SCHEMBL5402052 | 0.82 | SIGMAR1 (0.52) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL5393163 | 0.80 | SIGMAR1 (0.50) | KCNH2ADRA2ASLC6A2SLC6A4OPRM1 |
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-2017216805-A1 | INTERMEDIATES AND PROCESSES FOR PREPARATION OF VORTIOXETINE | LAKSHMI PRASAD ALAPARTHI (IN) | 2017-12-21 | — | — | WO | disclosed |