Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986684 | 0.87 | SLC6A3 (0.40) | KDRBLMMAPTTP53APEX1 | |
| SCHEMBL19986558 | 0.84 | KDR (0.39) | KDRBLMROCK2ROCK1MAPT | |
| SCHEMBL19986681 | 0.81 | TSHR (0.47) | MAPTTP53APEX1NPC1RAB9A | |
| SCHEMBL19986554 | 0.80 | MEN1 (0.47) | KDRBLMMAPTGRM4NAMPT | |
| SCHEMBL19986682 | 0.75 | TSHR (0.45) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19986629 | 0.74 | TSHR (0.44) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19986564 | 0.73 | NAMPT (0.52) | NAMPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19986509 | 0.73 | BLM (0.43) | KDRBLMGRM4NAMPTNPC1 | |
| SCHEMBL19986446 | 0.71 | KMT2A (0.49) | MAPTTP53NAMPTNPC1RAB9A | |
| SCHEMBL19986556 | 0.70 | TSHR (0.48) | MAPTTP53NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |