Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.62 |
| ▸ | GPR39 | O43194 | 2/20 | 0.58 |
| ▸ | FABP1 | P07148 | 1/20 | 0.56 |
| ▸ | FABP6 | P51161 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 2/20 | 0.43 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL28312466 | 0.96 | CXCR4 (0.68) | CXCR4GPR39FABP1FABP6KDM4E | |
| SCHEMBL28463006 | 0.86 | CXCR4 (0.62) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28471889 | 0.86 | CXCR4 (0.74) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28467501 | 0.85 | CXCR4 (0.68) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28460798 | 0.82 | CXCR4 (0.68) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28469695 | 0.82 | KDM4E (0.82) | CXCR4GPR39FABP1FABP6KDM4E | |
| SCHEMBL28467496 | 0.82 | CXCR4 (0.68) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28463332 | 0.81 | CXCR4 (0.62) | CXCR4GPR39FABP1FABP6KDM4E | |
| SCHEMBL29351380 | 0.79 | CXCR4 (1.00) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL589266 | 0.79 | CXCR4 (1.00) | CXCR4FABP1FABP6KDM4ENPC1 |
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 |