Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 12/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968447 | 0.96 | BCHE (0.35) | CXCR3CYP2D6RORC | |
| SCHEMBL4966117 | 0.86 | MAPK14 (0.36) | CXCR3CYP2D6DRD3 | |
| SCHEMBL4965290 | 0.83 | TRPM8 (0.39) | CXCR3DRD3 | |
| SCHEMBL4965081 | 0.82 | OPRM1 (0.36) | CXCR3RORCDRD3 | |
| SCHEMBL4965646 | 0.76 | OPRM1 (0.41) | CYP2D6LMNAHTTCA2 | |
| Hydrochloric Acid SCHEMBL4965277 | 0.75 | OPRM1 (0.41) | CYP2D6LMNAHTTCA2 | |
| SCHEMBL4966629 | 0.74 | SLC2A1 (0.37) | CYP2D6LMNAHTT | |
| SCHEMBL4971525 | 0.74 | OPRM1 (0.40) | HTTCA2 | |
| SCHEMBL14398038 | 0.73 | CYP4F2 (0.32) | CXCR3 | |
| SCHEMBL4966256 | 0.71 | AURKA (0.35) | CYP2D6LMNA |
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-1730140-B1 | OPIOID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-06-25 | — | — | EP | claimed |