Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11983417 | 0.82 | GAA (0.40) | GAAKCNJ1ALDH1A1NOTUMHSD17B10 | |
| SCHEMBL10492468 | 0.77 | GAA (0.37) | GAAKCNJ1ALDH1A1HSD17B10 | |
| SCHEMBL10633790 | 0.66 | ALDH1A1 (0.41) | GAAALDH1A1HSD17B10 | |
| SCHEMBL23157334 | 0.64 | — | — | |
| SCHEMBL17669198 | 0.64 | ALDH1A1 (0.37) | GAAALDH1A1HSD17B10 | |
| SCHEMBL10568680 | 0.63 | ALDH1A1 (0.39) | GAAALDH1A1 | |
| SCHEMBL10633619 | 0.63 | ALDH1A1 (0.41) | GAAALDH1A1HSD17B10 | |
| SCHEMBL8540480 | 0.63 | — | — | |
| SCHEMBL11663254 | 0.61 | PTGS2 (0.41) | GAAALDH1A1HSD17B10 | |
| SCHEMBL11789906 | 0.58 | GAA (0.33) | GAAALDH1A1 |
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-4072674-A | FOR CEPHALOSPORIN CONGENERS | SMITHKLINE CORPORATION (US) | 1978-02-07 | — | — | US | claimed |