Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL413204 | 0.86 | — | — | |
| SCHEMBL13716221 | 0.86 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL793122 | 0.76 | MC4R (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL25650527 | 0.76 | CHRNA7 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL17284691 | 0.75 | GNAI3 (0.47) | GNAI3GNAO1GNAI1ALDH1A1ALOX15 | |
| SCHEMBL969502 | 0.75 | — | — | |
| SCHEMBL3558039 | 0.75 | — | — | |
| SCHEMBL529338 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1 | |
| SCHEMBL19524668 | 0.72 | GNAI3 (0.53) | GNAI3GNAO1GNAI1ALDH1A1CYP2D6 | |
| SCHEMBL26042752 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018060483-A1 | ORGANOMETALLIC FLUCONAZOLE DERIVATES AND THEIR USE AS ANTIMYCOTICS | Universität Zürich (CH) | 2018-04-05 | — | — | WO | disclosed |