Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MYLK4 | Q86YV6 | 5/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23376620 | 0.79 | KMT2A (0.31) | — | |
| Hydrochloric Acid SCHEMBL2093985 | 0.79 | CPB2 (0.36) | MYLK4ROCK1 | |
| SCHEMBL8865805 | 0.79 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL8651245 | 0.78 | NOS2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL23038345 | 0.78 | KMT2A (0.30) | — | |
| SCHEMBL8865599 | 0.77 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL2477673 | 0.77 | PTGS1 (0.33) | — | |
| SCHEMBL2533910 | 0.76 | CPB2 (0.49) | ESR1ESR2 | |
| SCHEMBL21221599 | 0.75 | — | — | |
| SCHEMBL9789201 | 0.75 | — | — |
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 |