Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4413984 | 0.89 | MCHR1 (0.40) | MCHR1LMNAHDAC3HDAC4HDAC1 | |
| SCHEMBL4424582 | 0.83 | HTT (0.53) | MCHR1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL3456757 | 0.81 | MCHR1 (0.48) | MCHR1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL3540614 | 0.80 | MCHR1 (0.46) | MCHR1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL4416279 | 0.78 | PPARA (0.45) | MCHR1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL22184934 | 0.75 | KIF11 (0.47) | LMNAKIF11MAOB | |
| SCHEMBL11939551 | 0.74 | HRH3 (0.45) | MCHR1 | |
| SCHEMBL5867340 | 0.74 | S1PR1 (0.39) | MCHR1LMNAMEN1KMT2AUSP2 | |
| SCHEMBL24258303 | 0.74 | KDM1A (0.46) | MCHR1MEN1KMT2ATRPV3PLK1 | |
| SCHEMBL30481847 | 0.74 | KDM1A (0.46) | MCHR1MEN1KMT2ATRPV3PLK1 |
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 |