Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL14329776 | 0.86 | NPC1 (0.42) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL1843654 | 0.74 | COMT (0.39) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL11443697 | 0.72 | MAPK1 (0.36) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL7613775 | 0.71 | CYP1A2 (0.33) | GAA | |
| SCHEMBL5553553 | 0.70 | AGTR1 (0.34) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL6901677 | 0.70 | NPC1 (0.46) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL4846912 | 0.69 | GAA (0.42) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL7620013 | 0.69 | ALDH1A1 (0.49) | NPC1GAARAB9A | |
| SCHEMBL7233817 | 0.69 | GCGR (0.35) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL11386954 | 0.67 | SLC5A2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261579-A1 | DEHYDROAMINO ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001058853-A1 | DEHYDROAMINO ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-16 | — | — | WO | disclosed |