Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28436668 | 0.87 | MEN1 (0.40) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1273899 | 0.83 | SRC (0.42) | MAPTMEN1KMT2ACNR2PPARG | |
| SCHEMBL19892726 | 0.83 | L3MBTL1 (0.40) | RAB9ANPC1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL12477325 | 0.82 | CES2 (0.47) | CES2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15671624 | 0.80 | P2RX1 (0.40) | — | |
| SCHEMBL21061039 | 0.78 | CA1 (0.36) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28332952 | 0.78 | SRC (0.48) | CYP2D6MAPTMEN1KMT2APPARG | |
| SCHEMBL28732508 | 0.77 | MAPK1 (0.35) | MEN1KMT2APPARG | |
| SCHEMBL28327522 | 0.77 | PPARG (0.47) | CES2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL17674567 | 0.76 | CNR2 (0.48) | CES2CES1HDAC4HDAC7HDAC5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110317200-B | Pyrimidinium compounds and uses thereof | 东莞市东阳光农药研发有限公司 | 2020-09-11 | — | — | CN | disclosed |
| CN-110317200-A | Pyrimidine compound and application thereof | 东莞东阳光科研发有限公司 | 2019-10-11 | — | — | CN | disclosed |