Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.41 |
| ▸ | PPARG | P37231 | 7/20 | 0.41 |
| ▸ | PPARD | Q03181 | 7/20 | 0.41 |
| ▸ | PPARA | Q07869 | 7/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | FABP4 | P15090 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11199756 | 0.98 | CES2 (0.39) | CES2GPR84PPARGPPARDPPARA | |
| Pentane SCHEMBL29078898 | 0.85 | ALDH1A1 (0.35) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL15158061 | 0.84 | CES2 (0.32) | CES2GPR84PPARGPPARDPPARA | |
| SCHEMBL17938590 | 0.82 | ALDH1A1 (0.35) | TSHRALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL5612650 | 0.82 | ALDH1A1 (0.35) | TSHRALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL2135374 | 0.79 | FDPS (0.39) | CES2GGPS1 | |
| SCHEMBL25272453 | 0.76 | CES2 (0.47) | CES2GPR84PPARGPPARDPPARA | |
| SCHEMBL20853973 | 0.76 | CES2 (0.47) | CES2GPR84PPARGPPARDPPARA | |
| SCHEMBL20853817 | 0.76 | CES2 (0.47) | CES2GPR84PPARGPPARDPPARA | |
| SCHEMBL20854576 | 0.76 | CES2 (0.47) | CES2GPR84PPARGPPARDPPARA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0080275-A1 | Preparation of azoiminoether hydrochlorides from azonitriles and their hydrolysis to azocarboxylic esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-06-01 | — | — | EP | disclosed |