Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL9245293 | 1.00 | GBA1 (0.37) | GBA1ALDH1A1TDP1SPHK1SPHK2 | |
| SCHEMBL9245291 | 1.00 | GBA1 (0.37) | GBA1ALDH1A1TDP1SPHK1SPHK2 | |
| SCHEMBL8714536 | 0.84 | GBA1 (0.37) | GBA1ALDH1A1TDP1SPHK1 | |
| SCHEMBL8714532 | 0.84 | GBA1 (0.37) | GBA1ALDH1A1TDP1SPHK1 | |
| SCHEMBL8714531 | 0.84 | GBA1 (0.37) | GBA1ALDH1A1TDP1SPHK1 | |
| SCHEMBL8714968 | 0.81 | GBA1 (0.37) | GBA1 | |
| SCHEMBL8718119 | 0.81 | GBA1 (0.37) | GBA1 | |
| SCHEMBL9250629 | 0.81 | ALDH1A1 (0.36) | GBA1ALDH1A1TDP1 | |
| SCHEMBL8714473 | 0.78 | GBA1 (0.32) | GBA1 | |
| SCHEMBL9246559 | 0.76 | HTT (0.41) | GBA1 |
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 |