Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PTPRF | P10586 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1748183 | 1.00 | KMO (0.57) | KMOCES2CES1CA1CA2 | |
| SCHEMBL12265866 | 1.00 | KMO (0.57) | KMOCES2CES1CA1CA2 | |
| SCHEMBL1748193 | 1.00 | KMO (0.57) | KMOCES2CES1CA1CA2 | |
| SCHEMBL1748182 | 1.00 | KMO (0.57) | KMOCES2CES1CA1CA2 | |
| SCHEMBL1748185 | 0.89 | DGAT1 (0.47) | KMOCES2CES1CA1CA2 | |
| SCHEMBL1748184 | 0.89 | DGAT1 (0.47) | KMOCES2CES1CA1CA2 | |
| SCHEMBL11374054 | 0.82 | KMO (0.58) | KMOCES2CES1AKR1C3 | |
| SCHEMBL16521477 | 0.82 | KMO (0.58) | KMOCES2CES1AKR1C3 | |
| SCHEMBL8775309 | 0.82 | KMO (0.58) | KMOCES2CES1AKR1C3 | |
| SCHEMBL195485 | 0.81 | DGAT1 (0.51) | CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633722-A2 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | Bayer Pharmaceuticals Corporation (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004100881-A2 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-11-25 | — | — | WO | disclosed |