Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | XBP1 | P17861 | 1/20 | 0.54 |
| ▸ | FABP1 | P07148 | 1/20 | 0.51 |
| ▸ | FABP6 | P51161 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | GPR39 | O43194 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468337 | 0.87 | KDM4E (0.62) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL28469695 | 0.86 | KDM4E (0.82) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL28466419 | 0.82 | KDM4E (0.63) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL29580040 | 0.80 | KDM4E (1.00) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL14980562 | 0.80 | KDM4E (1.00) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL28471889 | 0.79 | CXCR4 (0.74) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL28900504 | 0.77 | HTR2A (0.59) | KDM4ECXCR4TP53HPGDFABP1 | |
| SCHEMBL27711542 | 0.76 | CXCR4 (0.54) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL28467501 | 0.75 | CXCR4 (0.68) | KDM4ECXCR4NPC1RAB9ATP53 | |
| SCHEMBL28467496 | 0.75 | CXCR4 (0.68) | KDM4ECXCR4NPC1RAB9ATP53 |
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 |