Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL468321 | 0.79 | ALDH1A1 (0.30) | ALDH1A1HTTNPSR1 | |
| SCHEMBL5366234 | 0.75 | — | — | |
| SCHEMBL3672456 | 0.75 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL16675025 | 0.71 | — | — | |
| SCHEMBL18638622 | 0.71 | — | — | |
| SCHEMBL5413717 | 0.67 | — | — | |
| SCHEMBL503461 | 0.65 | ALDH1A1 (0.31) | ALDH1A1HTTNPSR1 | |
| SCHEMBL1356589 | 0.65 | — | — | |
| SCHEMBL3074098 | 0.65 | — | — | |
| SCHEMBL6309115 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6534588-B1 | Curable polymer or oligomer; polyol, polyisocyanate crosslinking agent and water; automobile re-finishes | BASF COATINGS AG (DE) | 2003-03-18 | — | — | US | disclosed |