Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL878835 | 1.00 | ALDH1A1 (0.40) | ALDH1A1GPR35PDE4A | |
| SCHEMBL14533547 | 1.00 | ALDH1A1 (0.40) | ALDH1A1GPR35PDE4A | |
| SCHEMBL2292115 | 0.97 | — | — | |
| SCHEMBL2292342 | 0.92 | — | — | |
| Acetic Acid SCHEMBL9843655 | 0.87 | ALDH1A1 (0.37) | ALDH1A1GPR35 | |
| SCHEMBL2288386 | 0.86 | — | — | |
| SCHEMBL11373490 | 0.80 | NPC1 (0.39) | ALDH1A1PDE4A | |
| SCHEMBL2154595 | 0.78 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL2154404 | 0.78 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL7764816 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4318900-A | STIMULANTS | WILKINSON SWORD LIMITED (GB) | 1982-03-09 | — | — | US | disclosed |
| US-4248859-A | USED IN EDIBLE AND TOPICAL PREPARATIONS | WILKINSON SWORD LIMITED (GB) | 1981-02-03 | — | — | US | disclosed |