Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL728795 | 0.82 | MAPK1 (0.62) | MAPK1GAAHTTNPSR1ALDH1A1 | |
| SCHEMBL4689851 | 0.75 | MAPK1 (0.67) | MAPK1GAAHTTNPSR1ALDH1A1 | |
| SCHEMBL22095156 | 0.73 | AKR1C3 (0.73) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL1587133 | 0.73 | AKR1C3 (0.73) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL31067505 | 0.73 | MAPT (0.67) | MAPK1GAAHTTNPSR1ALDH1A1 | |
| SCHEMBL4470153 | 0.73 | MAPT (0.67) | MAPK1GAAHTTNPSR1ALDH1A1 | |
| SCHEMBL11563897 | 0.72 | AKR1C3 (0.55) | AKR1C3AKR1C2AKR1C1PTGS1MAPK1 | |
| SCHEMBL2081866 | 0.72 | AKR1C3 (0.67) | AKR1C3AKR1C2HTTALDH1A1LMNA | |
| SCHEMBL2081864 | 0.72 | AKR1C3 (0.67) | AKR1C3AKR1C2HTTALDH1A1LMNA | |
| SCHEMBL8683897 | 0.71 | PTGS2 (0.60) | AKR1C3AKR1C2PTGS1MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998037052-A1 | PREPARATION OF ARYL BROMOARYL KETONES AND CARBOXYLIC DERIVATIVES THEREOF | ALBEMARLE CORPORATION (US) | 1998-08-27 | — | — | WO | disclosed |