Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804123 | 0.92 | ADRA1A (0.46) | SIGMAR1KCNH2L3MBTL1MAOACHRM2 | |
| SCHEMBL5805322 | 0.84 | TDP1 (0.50) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL5804462 | 0.81 | SIGMAR1 (0.50) | SIGMAR1MAPTRXFP1L3MBTL1MAOA | |
| SCHEMBL28958133 | 0.76 | CHRM2 (0.48) | SIGMAR1KCNH2L3MBTL1MAOACHRM2 | |
| Hydrogen Peroxide SCHEMBL15515419 | 0.76 | KCNH2 (0.69) | SIGMAR1KCNH2TRPV1CHRM2ADRA2A | |
| SCHEMBL23532316 | 0.76 | KCNH2 (0.54) | SIGMAR1KCNH2L3MBTL1CHRM2ADRA2A | |
| SCHEMBL8095284 | 0.74 | SIGMAR1 (0.71) | SIGMAR1MAPTRXFP1L3MBTL1MAOA | |
| SCHEMBL6546948 | 0.74 | SIGMAR1 (0.71) | SIGMAR1MAPTRXFP1L3MBTL1MAOA | |
| SCHEMBL1433686 | 0.74 | SIGMAR1 (0.71) | SIGMAR1MAPTRXFP1L3MBTL1MAOA | |
| SCHEMBL676854 | 0.74 | SIGMAR1 (0.71) | SIGMAR1MAPTRXFP1L3MBTL1MAOA |
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-2006069096-A1 | SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2006-06-29 | — | — | WO | disclosed |