Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2273108 | 0.81 | DRD2 (0.50) | HCAR3HCAR2GSK3BTSHRSLC6A2 | |
| SCHEMBL2876560 | 0.76 | HPGD (0.37) | ALDH1A1HPGDGSK3BTSHRSLC6A2 | |
| SCHEMBL5375947 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HPGDKMT2AHCAR3HCAR2 | |
| SCHEMBL1040462 | 0.72 | SMN1; SMN2 (0.35) | ALDH1A1GAAHTTSMN1; SMN2RAB9A | |
| SCHEMBL9738849 | 0.71 | ALDH1A1 (0.37) | ALDH1A1HPGDGAAHTTKMT2A | |
| SCHEMBL9738854 | 0.71 | ALDH1A1 (0.37) | ALDH1A1HPGDGAAHTTKMT2A | |
| SCHEMBL23878712 | 0.69 | HCAR3 (0.35) | ALDH1A1KMT2AHCAR3HCAR2DAO | |
| SCHEMBL17028528 | 0.69 | HPGD (0.38) | ALDH1A1HPGDGSK3BTSHRSLC6A2 | |
| SCHEMBL13851450 | 0.68 | SLC6A2 (0.36) | AKR1B1ALDH1A1HPGDHCAR3HCAR2 | |
| SCHEMBL24397864 | 0.65 | DAO (0.39) | KMT2ADAOSMN1; SMN2MEN1 |
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 |