Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL6938167 | 0.85 | DRD2 (0.34) | STSCA1CA2DRD2DRD1 | |
| SCHEMBL17864633 | 0.82 | MEN1 (0.41) | TSHRMAPK1POLBGAAALDH1A1 | |
| SCHEMBL14240535 | 0.81 | DRD2 (0.38) | CA1CA2DRD2DRD1DRD4 | |
| SCHEMBL26601703 | 0.78 | ALDH1A1 (0.31) | ALDH1A1DRD2DRD1DRD4DRD5 | |
| SCHEMBL18179589 | 0.76 | EPAS1 (0.38) | TSHRMAPK1POLBCA1CA2 | |
| SCHEMBL5156307 | 0.75 | AR (0.50) | ARSTSDRD2DRD1DRD4 | |
| SCHEMBL6139736 | 0.75 | RAB9A (0.40) | POLBALDH1A1STSCA1CA2 | |
| Hydrogen Sulfide SCHEMBL15796096 | 0.74 | ESR2 (0.33) | CA1CA2DRD2DRD1DRD4 | |
| SCHEMBL6942043 | 0.74 | CA1 (0.44) | TSHRGAAALDH1A1CA1CA2 | |
| SCHEMBL31195498 | 0.74 | CA1 (0.44) | GAAALDH1A1STSCA1CA2 |
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-2012086735-A1 | CONDENSED HETEROCYCLIC COMPOUND | 大正製薬株式会社 (JP) | 2012-06-28 | — | — | WO | disclosed |