Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | EEF2K | O00418 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670874 | 0.75 | CES2 (0.45) | CES2CES1KCNN4GAAKCNE1 | |
| Benzylic Acid SCHEMBL1670871 | 0.73 | CES2 (0.49) | CES2CES1KCNN4GAAKCNE1 | |
| SCHEMBL7522990 | 0.73 | CES2 (0.56) | CES2CES1GAACNR2CYP3A4 | |
| SCHEMBL8410789 | 0.73 | CES2 (0.56) | CES2CES1GAACNR2CYP3A4 | |
| SCHEMBL469655 | 0.71 | CES2 (0.63) | CES2CES1KCNN4GAACNR2 | |
| SCHEMBL1671676 | 0.71 | CES2 (0.63) | CES2CES1KCNN4GAACNR2 | |
| SCHEMBL11354965 | 0.71 | CES2 (0.63) | CES2CES1KCNN4GAACNR2 | |
| SCHEMBL30670483 | 0.71 | CES2 (0.63) | CES2CES1KCNN4GAACNR2 | |
| SCHEMBL28165643 | 0.70 | CES2 (0.53) | CES2CES1GAACYP1A2CYP3A4 | |
| SCHEMBL4971512 | 0.67 | KCNN4 (0.51) | CES2CES1KCNN4KCNE1KCNQ1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012154213-A1 | COFLUORONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2012-11-15 | — | — | WO | disclosed |
| EP-2485678-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | Cornell University (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011043817-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2011-04-14 | — | — | WO | disclosed |