Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.32 |
| ▸ | TDO2 | P48775 | 4/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733887 | 1.00 | IDO1 (0.32) | IDO1TDO2GRM2ALDH1A1GAA | |
| SCHEMBL9733890 | 1.00 | IDO1 (0.32) | IDO1TDO2GRM2ALDH1A1GAA | |
| SCHEMBL9734640 | 0.99 | IDO1 (0.30) | IDO1TDO2CYP17A1 | |
| SCHEMBL9736578 | 0.99 | IDO1 (0.30) | IDO1TDO2CYP17A1 | |
| SCHEMBL9736581 | 0.99 | IDO1 (0.30) | IDO1TDO2CYP17A1 | |
| SCHEMBL9734637 | 0.99 | IDO1 (0.30) | IDO1TDO2CYP17A1 | |
| SCHEMBL9734636 | 0.99 | IDO1 (0.30) | IDO1TDO2CYP17A1 | |
| SCHEMBL9733936 | 0.80 | KMT2A (0.44) | ALDH1A1HPGDKMT2A | |
| SCHEMBL9733948 | 0.80 | KMT2A (0.44) | ALDH1A1HPGDKMT2A | |
| SCHEMBL9733939 | 0.80 | KMT2A (0.44) | ALDH1A1HPGDKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0152031-B1 | AZOLYL CYCLOALKANOL DERIVATIVES AND AGRICULTURAL FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 1990-05-09 | — | — | EP | claimed |
| EP-0152031-A2 | Azolyl cycloalkanol derivatives and agricultural fungicides | SHIONOGI & CO., LTD. (JP) | 1985-08-21 | — | — | EP | claimed |
| 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-B1 | AZOLYL CYCLOALKANOL DERIVATIVES AND AGRICULTURAL FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 1990-05-09 | — | — | EP | disclosed |