Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3528466 | 1.00 | CXCR4 (0.39) | CXCR4ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL3894282 | 0.98 | CXCR4 (0.39) | CXCR4ALDH1A1GAA | |
| SCHEMBL3894363 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3909331 | 0.64 | PDE4D (0.34) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3900671 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3901555 | 0.62 | ALDH1A1 (0.40) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3901551 | 0.62 | ALDH1A1 (0.40) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3908786 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL3908782 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL4823268 | 0.58 | GPR84 (0.30) | — |
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-1669352-A1 | THIAZOLINE DERIVATIVE AND USE OF THE SAME | Takeda Pharmaceutical Company Limited (JP) | 2006-06-14 | — | — | EP | disclosed |