Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1110956 | 0.85 | KEAP1 (0.53) | KEAP1CES2CES1NOTUMFFAR1 | |
| SCHEMBL17099949 | 0.83 | CES2 (0.42) | KEAP1CES2CES1POLBP4HB | |
| SCHEMBL16051600 | 0.83 | CYP1A2 (0.49) | CES2CES1POLBP4HB | |
| SCHEMBL16082919 | 0.79 | PTPN1 (0.46) | CES2CES1POLBFFAR1FFAR4 | |
| SCHEMBL30195093 | 0.79 | PTPN1 (0.46) | CES2CES1POLBFFAR1FFAR4 | |
| SCHEMBL162217 | 0.79 | HPGD (0.53) | POLBFFAR4 | |
| SCHEMBL4849617 | 0.78 | XDH (0.50) | NOTUMFFAR1 | |
| SCHEMBL19695306 | 0.78 | ALDH1A1 (0.49) | POLB | |
| SCHEMBL30646082 | 0.78 | CA9 (0.55) | CES2POLB | |
| SCHEMBL2832919 | 0.78 | KEAP1 (0.46) | KEAP1CES2CES1NOTUM |
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-2146753-A2 | 18F FLUORO-BENZOYL LABELLED BIOLOGICAL ACTIVE COMPOUNDS AS DIAGNOSTIC IMAGING AGENTS AS WELL AS BENZOTRIAZOL-1-YLOXY-BENZOYL , 2,5-DIOXO-PYRROLIDIN-1-YLOXY)BENZOYL AND TRIMETHYLAMMONIO-BENZOYL PRECURSERS THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008104203-A2 | 18F FLUORO-BENZOYL LABELLED BIOLOGICAL ACTIVE COUMPOUNDS AS DIAGNOSITIC IMAGING AGENTS AS WELL AS BENZOTRIAZOL-1-YLOXY-BENZOYL, 2,5-DIOXO-PYRROLIDIN-1-YLOXY) BENZOYL AND TRIMETHYLAMMONIO-BENZOYL PRECURSERS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-09-04 | — | — | WO | disclosed |