Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LGALS3 | P17931 | 1/20 | 0.37 |
| ▸ | LGALS8 | O00214 | 2/20 | 0.36 |
| ▸ | OGA | O60502 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | MGAM | O43451 | 2/20 | 0.33 |
| ▸ | TREH | O43280 | 1/20 | 0.31 |
| ▸ | PYGB | P11216 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27207966 | 1.00 | LGALS3 (0.37) | LGALS3LGALS8OGASPHK1SLC6A2 | |
| SCHEMBL22423210 | 1.00 | LGALS3 (0.37) | LGALS3LGALS8OGASPHK1SLC6A2 | |
| SCHEMBL23603158 | 1.00 | LGALS3 (0.37) | LGALS3LGALS8OGASPHK1SLC6A2 | |
| SCHEMBL23603330 | 1.00 | LGALS3 (0.37) | LGALS3LGALS8OGASPHK1SLC6A2 | |
| SCHEMBL13467759 | 0.88 | SPHK1 (0.36) | LGALS3LGALS8OGASPHK1GAA | |
| SCHEMBL19297652 | 0.88 | SPHK1 (0.36) | LGALS3LGALS8OGASPHK1GAA | |
| SCHEMBL25995092 | 0.86 | SPHK1 (0.35) | LGALS3LGALS8OGASPHK1GAA | |
| SCHEMBL13433460 | 0.85 | LGALS3 (0.35) | LGALS3LGALS8OGASPHK1SLC6A2 | |
| SCHEMBL21233490 | 0.85 | SPHK1 (0.34) | LGALS3LGALS8OGASPHK1GAA | |
| SCHEMBL19276934 | 0.85 | SPHK1 (0.34) | LGALS3LGALS8OGASPHK1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5449785-A | Fungicides with triazole groups | HOFFMANN-LA ROCHE INC. (US) | 1995-09-12 | — | — | US | disclosed |
| EP-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | disclosed |