Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | FASN | P49327 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL14879527 | 0.89 | HSD17B10 (0.52) | HSD17B10KIF11FASNPTGS1XDH | |
| SCHEMBL23638836 | 0.82 | GRM2 (0.49) | FASNGRM2KMOSMN1; SMN2KDM4E | |
| SCHEMBL1725545 | 0.81 | HSD17B10 (0.56) | HSD17B10XDHALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL31120808 | 0.81 | PTGS1 (0.51) | HSD17B10KIF11GRM2PTGS1DRD1 | |
| SCHEMBL416643 | 0.81 | PTGS1 (0.51) | HSD17B10KIF11GRM2PTGS1DRD1 | |
| SCHEMBL31067155 | 0.79 | NPC1 (0.49) | HSD17B10FASNGRM2SMN1; SMN2KDM4E | |
| SCHEMBL20898100 | 0.79 | NPC1 (0.49) | HSD17B10FASNGRM2SMN1; SMN2KDM4E | |
| SCHEMBL18304391 | 0.79 | HSD17B10 (0.52) | HSD17B10PTGS1XDHDRD1ALDH1A1 | |
| SCHEMBL3228270 | 0.79 | HSD17B10 (0.52) | HSD17B10GRM2XDHALDH1A1SMN1; SMN2 | |
| SCHEMBL17508159 | 0.79 | CYP2A6 (0.52) | KIF11GRM2PTGS1DRD1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3587406-B1 | 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER | FORMA THERAPEUTICS INC (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2014160649-A1 | HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-02 | — | — | 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 |