Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9250038 | 1.00 | EPHX1 (0.38) | EPHX1OPRM1OPRD1OPRK1STS | |
| SCHEMBL9248693 | 0.81 | CNR2 (0.36) | EPHX1OPRM1OPRD1OPRK1STS | |
| SCHEMBL9244520 | 0.80 | POLB (0.47) | OPRM1OPRD1OPRK1 | |
| SCHEMBL9244542 | 0.80 | POLB (0.47) | OPRM1OPRD1OPRK1 | |
| SCHEMBL9244528 | 0.79 | ADRA2A (0.46) | EPHX1OPRM1OPRD1OPRK1STS | |
| SCHEMBL9248685 | 0.79 | GAA (0.39) | OPRM1OPRD1OPRK1ACHESLC18A2 | |
| SCHEMBL9248690 | 0.79 | GAA (0.39) | OPRM1OPRD1OPRK1ACHESLC18A2 | |
| SCHEMBL9244535 | 0.79 | ADRA2A (0.46) | EPHX1OPRM1OPRD1OPRK1STS | |
| SCHEMBL8718768 | 0.78 | SLC18A2 (0.46) | ACHEHRH3SLC18A2 | |
| SCHEMBL9243625 | 0.77 | CYSLTR1 (0.40) | — |
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 |