Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 13/20 | 0.34 |
| ▸ | HTR2A | P28223 | 13/20 | 0.34 |
| ▸ | DRD3 | P35462 | 13/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3950050 | 0.89 | ALDH1A1 (0.38) | ALDH1A1KDM4EDRD2HTR2ADRD3 | |
| SCHEMBL3952872 | 0.89 | PIM1 (0.30) | — | |
| SCHEMBL3951154 | 0.82 | DRD2 (0.37) | ALDH1A1KDM4EDRD2HTR2ADRD3 | |
| SCHEMBL3950179 | 0.82 | DRD2 (0.35) | ALDH1A1KDM4EDRD2HTR2ADRD3 | |
| SCHEMBL12397 | 0.82 | CYP1A2 (0.42) | ALDH1A1KDM4EDRD2HTR2ADRD3 | |
| SCHEMBL12120559 | 0.81 | ALOX15 (0.50) | ALDH1A1KDM4EDRD2HTR2ADRD3 | |
| SCHEMBL13062 | 0.80 | CYP1A2 (0.46) | ALDH1A1CYP1A2 | |
| SCHEMBL3954983 | 0.79 | KEAP1 (0.32) | ALDH1A1 | |
| SCHEMBL3951360 | 0.78 | ALDH1A1 (0.38) | ALDH1A1KDM4EDRD2DRD3CYP1A2 | |
| SCHEMBL8233850 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4EDRD2DRD3CYP1A2 |
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-2009024825-A1 | 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | WO | disclosed |