Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9738856 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAAHTTKMT2AHPGD | |
| SCHEMBL9738849 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAAHTTKMT2AHPGD | |
| SCHEMBL9736578 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL9734640 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL9736581 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL9734637 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL9734636 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL9733887 | 0.71 | IDO1 (0.32) | ALDH1A1GAAHTTKMT2AHPGD | |
| SCHEMBL9733890 | 0.71 | IDO1 (0.32) | ALDH1A1GAAHTTKMT2AHPGD | |
| SCHEMBL11018236 | 0.71 | TRPA1 (0.33) | TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5091539-A | Reacting an ozolyl cycloalkanone with Grignard reagent or alkali metal compound | SHIONOGI & CO., LTD. (JP) | 1992-02-25 | — | — | US | disclosed |
| EP-0152031-A2 | Azolyl cycloalkanol derivatives and agricultural fungicides | SHIONOGI & CO., LTD. (JP) | 1985-08-21 | — | — | EP | disclosed |