Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL10577726 | 0.98 | ALDH1A1 (0.46) | ALDH1A1HTTKDM4EGAAPTGDR2 | |
| SCHEMBL10566765 | 0.91 | DRD2 (0.51) | ALDH1A1HTTKDM4EGAAPTGDR2 | |
| SCHEMBL10566772 | 0.91 | DRD2 (0.51) | ALDH1A1HTTKDM4EGAAPTGDR2 | |
| Oxalic Acid SCHEMBL10566732 | 0.90 | DRD2 (0.49) | ALDH1A1HTTKDM4EGAAPTGDR2 | |
| Oxalic Acid SCHEMBL10566726 | 0.90 | DRD2 (0.49) | ALDH1A1HTTKDM4EGAAPTGDR2 | |
| SCHEMBL10565925 | 0.84 | DRD2 (0.49) | ALDH1A1HTTKDM4EGAAPTGDR2 | |
| Oxalic Acid SCHEMBL10567216 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HTTKDM4EGAADRD2 | |
| Oxalic Acid SCHEMBL10567218 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HTTKDM4EGAADRD2 | |
| SCHEMBL10524580 | 0.83 | ADRB2 (0.44) | ALDH1A1DRD2DRD4DRD3MAPT | |
| SCHEMBL10524588 | 0.83 | ADRB2 (0.44) | ALDH1A1DRD2DRD4DRD3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0297613-A2 | Pyridine derivatives, process for production thereof and pharmaceutical composition containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1989-01-04 | — | — | EP | disclosed |