Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | FABP1 | P07148 | 1/20 | 0.42 |
| ▸ | FABP6 | P51161 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899353 | 0.88 | MAOA (0.58) | ALDH1A1HPGDL3MBTL1MAOACXCR4 | |
| SCHEMBL28470079 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HPGDL3MBTL1MAOACXCR4 | |
| SCHEMBL28463006 | 0.83 | CXCR4 (0.62) | NPC1RAB9ACACNA1BCXCR4FABP1 | |
| SCHEMBL28900504 | 0.83 | HTR2A (0.59) | ALDH1A1HPGDL3MBTL1MAOACXCR4 | |
| SCHEMBL28473019 | 0.83 | MEN1 (0.53) | NPC1RAB9AALDH1A1HPGDL3MBTL1 | |
| SCHEMBL28464078 | 0.83 | NPSR1 (0.54) | NPC1ALDH1A1HPGDL3MBTL1MAOA | |
| SCHEMBL28463017 | 0.83 | L3MBTL1 (0.61) | NPC1RAB9AALDH1A1HPGDL3MBTL1 | |
| SCHEMBL6152090 | 0.77 | SLC6A4 (0.66) | CACNA1BHTR2ASLC6A4KCNH2 | |
| SCHEMBL29580175 | 0.77 | CXCR4 (0.74) | NPC1RAB9AALDH1A1HPGDCXCR4 | |
| SCHEMBL3636802 | 0.74 | NPC1 (0.47) | NPC1RAB9AALDH1A1HPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |