Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | DRD4 | P21917 | 3/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 2/20 | 0.30 |
| ▸ | DRD3 | P35462 | 2/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL3950698 | 0.95 | ALDH1A1 (0.34) | ALDH1A1NAMPTDRD4SIGMAR1DRD2 | |
| SCHEMBL3949391 | 0.93 | ALDH1A1 (0.41) | ALDH1A1GAACHRM2CHRM4CHRM5 | |
| SCHEMBL3950837 | 0.88 | ALDH1A1 (0.39) | ALDH1A1SIGMAR1DRD2DRD3LMNA | |
| SCHEMBL3949679 | 0.82 | CHRM5 (0.38) | ALDH1A1GAACHRM2CHRM4CHRM5 | |
| SCHEMBL3950776 | 0.82 | ALDH1A1 (0.36) | ALDH1A1GAANAMPTCHRM2CHRM4 | |
| SCHEMBL3951164 | 0.81 | ALDH1A1 (0.33) | ALDH1A1GAAGNAO1 | |
| SCHEMBL3949506 | 0.80 | ALDH1A1 (0.35) | ALDH1A1GAANAMPTCHRM2CHRM4 | |
| SCHEMBL3950123 | 0.79 | ALDH1A1 (0.32) | ALDH1A1S1PR5 | |
| SCHEMBL3950074 | 0.79 | ALDH1A1 (0.32) | ALDH1A1GAAS1PR5 | |
| SCHEMBL3950649 | 0.79 | CHRM1 (0.40) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 |
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 |