Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL5080717 | 0.79 | HDAC4 (0.44) | CES2CES1IDO1TDO2 | |
| SCHEMBL1028130 | 0.76 | IDO1 (0.38) | CES2CES1IDO1TDO2 | |
| SCHEMBL2557480 | 0.75 | CES2 (0.40) | CES2CES1CA12CA1CA9 | |
| Ammonia Solution, Strong SCHEMBL27969947 | 0.74 | IDO1 (0.37) | CES2CES1IDO1TDO2 | |
| SCHEMBL2463416 | 0.74 | ERN1 (0.38) | CES2CES1ERN1 | |
| SCHEMBL13077765 | 0.71 | CES2 (0.47) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL13265513 | 0.71 | CES2 (0.47) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL14336934 | 0.71 | CES2 (0.38) | CES2CES1CA12CA1CA9 | |
| SCHEMBL21495061 | 0.71 | CES2 (0.38) | CES2CES1CA12CA1CA9 | |
| SCHEMBL4709591 | 0.71 | CES2 (0.38) | CES2CES1CA12CA1CA9 |
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-1912976-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-23 | — | — | EP | disclosed |
| EP-1904477-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007009906-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-25 | — | — | WO | disclosed |
| WO-2007006688-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |