Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.43 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.43 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GJB2 | P29033 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804280 | 1.00 | BCHE (0.43) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL19188801 | 0.96 | SSTR1 (0.46) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL26759652 | 0.96 | SSTR1 (0.46) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9306587 | 0.96 | SSTR1 (0.46) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8718077 | 0.86 | SLC6A2 (0.49) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL19430370 | 0.86 | SLC6A2 (0.49) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5804277 | 0.86 | SLC6A2 (0.49) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9567739 | 0.86 | BCHE (0.46) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL19591345 | 0.85 | BCHE (0.48) | BCHEPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8574629 | 0.83 | SSTR1 (0.46) | BCHEPSEN1PSEN2APH1BNCSTN |
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 |