Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29000444 | 1.00 | POLB (0.32) | POLBOPRK1RXFP1SELEVCAM1 | |
| SCHEMBL372414 | 0.82 | SELE (0.38) | POLBOPRK1RXFP1SELEVCAM1 | |
| SCHEMBL27654861 | 0.81 | POLB (0.39) | POLBOPRK1RXFP1SELEVCAM1 | |
| SCHEMBL27654858 | 0.81 | SELE (0.37) | POLBOPRK1RXFP1SELEVCAM1 | |
| SCHEMBL13064218 | 0.75 | — | — | |
| SCHEMBL27849195 | 0.73 | — | — | |
| SCHEMBL29459645 | 0.72 | — | — | |
| SCHEMBL1553684 | 0.72 | — | — | |
| SCHEMBL824165 | 0.72 | — | — | |
| SCHEMBL16622681 | 0.72 | — | — |
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-116102505-A | Novel compound of formula I, preparation method and application thereof | 南京易亨制药有限公司 | 2023-05-12 | — | — | CN | claimed |
| CN-116106434-A | Method for efficiently detecting related substances in 4-chloro-6-ethyl-5-fluoropyrimidine | 南京易亨制药有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-116102505-A | Novel compound of formula I, preparation method and application thereof | 南京易亨制药有限公司 | 2023-05-12 | — | — | CN | disclosed |