Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.57 |
| ▸ | KIF11 | P52732 | 1/20 | 0.53 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.43 |
| ▸ | FEN1 | P39748 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18001814 | 0.87 | KIF11 (0.57) | AKR1C3AKR1C2KIF11CES2PSEN1 | |
| SCHEMBL24409095 | 0.86 | AKR1C3 (0.54) | AKR1C3AKR1C2KIF11 | |
| SCHEMBL4418949 | 0.83 | APP (0.54) | AKR1C3AKR1C2KIF11ALOX5APFEN1 | |
| SCHEMBL18001934 | 0.83 | AKR1C3 (0.57) | AKR1C3AKR1C2KIF11DRD1DRD2 | |
| SCHEMBL31227778 | 0.83 | AKR1C3 (0.47) | AKR1C3AKR1C2KIF11ALOX5APFEN1 | |
| SCHEMBL23226467 | 0.82 | GRM2 (0.44) | AKR1C3AKR1C2KIF11ALOX5APFEN1 | |
| SCHEMBL21358553 | 0.80 | AKR1C3 (0.51) | AKR1C3AKR1C2KIF11 | |
| SCHEMBL18002472 | 0.80 | AHR (0.43) | AKR1C3AKR1C2KIF11ALOX5APFEN1 | |
| SCHEMBL17508160 | 0.80 | KIF11 (0.53) | AKR1C3AKR1C2KIF11ALOX5APFEN1 | |
| SCHEMBL17508177 | 0.79 | IL2 (0.49) | AKR1C3AKR1C2KIF11DRD1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| EP-1479671-B1 | Pyrimidinone compounds | SMITHKLINE BEECHAM PLC (GB) | 2009-05-27 | — | — | EP | disclosed |
| US-7115616-B2 | Pyrimidinone compounds | SMITHKLINE BEECHAM PLC (GB) | 2006-10-03 | — | — | US | disclosed |
| US-6953803-B1 | 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-10-11 | — | — | US | disclosed |