Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3519014 | 0.77 | HPGD (0.54) | GABRA1GABRB2TSHRHPGDNFKB1 | |
| SCHEMBL5846867 | 0.77 | HPGD (0.54) | GABRA1GABRB2TSHRHPGDNFKB1 | |
| SCHEMBL5846876 | 0.77 | HPGD (0.54) | GABRA1GABRB2TSHRHPGDNFKB1 | |
| SCHEMBL28108317 | 0.77 | ALDH1A1 (0.45) | TSHRALDH1A1MAPTITGA4POLB | |
| SCHEMBL28108315 | 0.76 | ALDH1A1 (0.50) | TSHRHPGDALDH1A1MAPTITGA4 | |
| SCHEMBL2279467 | 0.75 | HPGD (0.44) | GABRA1GABRB2TSHRHPGDMAPT | |
| SCHEMBL23124236 | 0.74 | HSP90AB1 (0.50) | GABRA1GABRB2TSHRHPGDALDH1A1 | |
| SCHEMBL29587193 | 0.74 | TSHR (0.43) | GABRA1GABRB2TSHRHPGDMAPT | |
| SCHEMBL24496720 | 0.74 | TSHR (0.43) | GABRA1GABRB2TSHRHPGDMAPT | |
| SCHEMBL25438707 | 0.74 | HPGD (0.43) | GABRA1GABRB2TSHRHPGDMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2234486-A1 | BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS | The Scripps Research Institute (US) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009079011-A1 | BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-06-25 | — | — | WO | disclosed |