Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.50 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2649617 | 0.96 | MCHR1 (0.53) | MCHR1SCN8ASLC6A4SLC6A3TSHR | |
| SCHEMBL3457044 | 0.82 | HRH3 (0.51) | HRH4HRH3USP2HTTALDH1A1 | |
| SCHEMBL3456757 | 0.82 | MCHR1 (0.48) | MCHR1SCN8AHRH4HRH3KIF11 | |
| SCHEMBL16268473 | 0.81 | SCN8A (0.54) | MCHR1SCN8ASLC6A4SLC6A3TSHR | |
| SCHEMBL4424551 | 0.81 | DRD1 (0.44) | HRH4HRH3USP2HTTALDH1A1 | |
| SCHEMBL2650572 | 0.80 | SLC6A4 (0.46) | MCHR1SCN8ASLC6A4SLC6A3TSHR | |
| SCHEMBL3542034 | 0.78 | CACNA1B (0.49) | MCHR1SCN8AEPHX2 | |
| Hydrochloric Acid SCHEMBL8446857 | 0.78 | SCN8A (0.57) | SCN8AHRH4HRH3TSHRPPARA | |
| SCHEMBL3457092 | 0.78 | CHRM2 (0.51) | HRH4HRH3USP2HTT | |
| SCHEMBL4713979 | 0.78 | SMN1; SMN2 (0.53) | HRH4HRH3USP2HTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |