Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2660226 | 0.83 | VCP (0.56) | VCPMAOBMAOANPC1RAB9A | |
| SCHEMBL2660229 | 0.83 | VCP (0.56) | VCPMAOBMAOANPC1RAB9A | |
| SCHEMBL28239186 | 0.82 | KDM1A (0.37) | VCPNFE2L2TRPA1ALDH1A1MGAM | |
| SCHEMBL4798296 | 0.78 | NPFFR1 (0.44) | NPC1TRPA1ALDH1A1ALDH1A3 | |
| SCHEMBL1547756 | 0.78 | NFE2L2 (0.56) | NPC1RAB9ANFE2L2CYP1A2TRPA1 | |
| SCHEMBL5674421 | 0.77 | VCP (0.50) | VCPMAOBMAOANPC1RAB9A | |
| SCHEMBL11127611 | 0.77 | VCP (0.50) | VCPMAOBMAOANPC1RAB9A | |
| SCHEMBL4065139 | 0.77 | VCP (0.50) | VCPMAOBMAOANPC1RAB9A | |
| SCHEMBL154905 | 0.77 | VCP (0.55) | VCPMAOBMAOANPC1RAB9A | |
| SCHEMBL29527566 | 0.77 | VCP (0.55) | VCPMAOBMAOANPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103347864-B | Pyrimidone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA 2 | 葛兰素集团有限公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-103347864-A | For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions | GLAXO GROUP LTD | 2013-10-09 | — | — | CN | disclosed |
| CN-101855215-A | For preparing 5-haloalkyl-4 | DU PONT | 2010-10-06 | — | — | CN | disclosed |