Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL8717681 | 1.00 | HTT (0.41) | HTTGBA1USP2 | |
| SCHEMBL8718119 | 0.82 | GBA1 (0.37) | HTTGBA1 | |
| SCHEMBL8714968 | 0.82 | GBA1 (0.37) | HTTGBA1 | |
| SCHEMBL9567652 | 0.81 | HTT (0.37) | HTT | |
| SCHEMBL9246824 | 0.81 | HTT (0.37) | HTT | |
| SCHEMBL8717861 | 0.81 | OPRM1 (0.39) | — | |
| SCHEMBL9250629 | 0.79 | ALDH1A1 (0.36) | GBA1 | |
| SCHEMBL8717894 | 0.76 | GBA1 (0.37) | GBA1 | |
| SCHEMBL9245291 | 0.76 | GBA1 (0.37) | GBA1 | |
| SCHEMBL9245293 | 0.76 | GBA1 (0.37) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| US-5449785-A | Fungicides with triazole groups | HOFFMANN-LA ROCHE INC. (US) | 1995-09-12 | — | — | US | disclosed |