Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.31 |
| ▸ | PPARD | Q03181 | 2/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL4637959 | 0.92 | CNR1 (0.34) | CNR1AKR1C3GPBAR1ALDH1A1TSHR | |
| SCHEMBL4639407 | 0.85 | EPAS1 (0.37) | GPBAR1ALDH1A1TSHR | |
| SCHEMBL4638005 | 0.84 | GPBAR1 (0.40) | GPBAR1ALDH1A1TSHRIDH1CYP19A1 | |
| SCHEMBL4638090 | 0.82 | EPAS1 (0.39) | AKR1C3GPBAR1ALDH1A1TSHR | |
| SCHEMBL4638948 | 0.81 | ALDH1A1 (0.35) | GPBAR1ALDH1A1TSHRIDH1CYP19A1 | |
| SCHEMBL14144829 | 0.80 | IDH1 (0.36) | CNR1GPBAR1ALDH1A1TSHRIDH1 | |
| SCHEMBL4637782 | 0.80 | IDH1 (0.42) | GPBAR1ALDH1A1TSHRIDH1 | |
| SCHEMBL4637701 | 0.78 | GPBAR1 (0.38) | GPBAR1ALDH1A1TSHRIDH1CYP19A1 | |
| SCHEMBL4639007 | 0.77 | GPBAR1 (0.37) | GPBAR1ALDH1A1TSHRIDH1CYP19A1 | |
| SCHEMBL6385074 | 0.77 | GPBAR1 (0.39) | GPBAR1ALDH1A1TSHRIDH1PTGER4 |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |