Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | OXTR | P30559 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875802 | 1.00 | ACHE (0.48) | ACHEBACE1DRD2DRD3MAPK6 | |
| SCHEMBL6869174 | 0.91 | CNR1 (0.45) | ACHEBACE1DRD2DRD3MAPK6 | |
| SCHEMBL6869172 | 0.91 | CNR1 (0.45) | ACHEBACE1DRD2DRD3MAPK6 | |
| SCHEMBL6465890 | 0.89 | ACHE (0.39) | ACHEBACE1DRD2JAK3MCHR1 | |
| SCHEMBL6877562 | 0.89 | ACHE (0.39) | ACHEBACE1DRD2JAK3MCHR1 | |
| SCHEMBL6876992 | 0.89 | ACHE (0.46) | ACHEBACE1DRD2JAK3CXCR4 | |
| SCHEMBL6878784 | 0.89 | MCHR1 (0.39) | ACHEBACE1DRD2JAK3MCHR1 | |
| SCHEMBL6878788 | 0.89 | MCHR1 (0.39) | ACHEBACE1DRD2JAK3MCHR1 | |
| SCHEMBL6876987 | 0.89 | ACHE (0.46) | ACHEBACE1DRD2JAK3CXCR4 | |
| SCHEMBL6868802 | 0.88 | ACHE (0.46) | ACHEBACE1DRD2CXCR4MCHR1 |
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-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |