Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL2362323 | 0.87 | CYP11B2 (0.50) | CYP11B2TLR8PRKACARPS6KB1GSK3B | |
| SCHEMBL15345132 | 0.86 | CYP11B2 (0.49) | CYP11B2HRH4HRH3JAK1CYP11B1 | |
| SCHEMBL2360920 | 0.86 | HCAR1 (0.50) | CYP11B2TLR8PRKACARPS6KB1GSK3B | |
| SCHEMBL8630899 | 0.81 | OPRM1 (0.49) | PRKACARPS6KB1GSK3B | |
| SCHEMBL18960379 | 0.80 | TLR8 (0.45) | CYP11B2TLR8PRKACARPS6KB1GSK3B | |
| SCHEMBL2337873 | 0.80 | SMN1; SMN2 (0.50) | GAASMN1; SMN2 | |
| SCHEMBL15345119 | 0.78 | CYP2D6 (0.44) | CYP11B2HRH4HRH3JAK1 | |
| SCHEMBL15344961 | 0.78 | CYP2D6 (0.44) | CYP11B2HRH4HRH3JAK1 | |
| SCHEMBL21310755 | 0.77 | EGFR (0.50) | — | |
| SCHEMBL15345062 | 0.74 | MCHR1 (0.56) | PRKACARPS6KB1GSK3BGAASMN1; SMN2 |
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-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |