Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 4/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL327717 | 0.83 | LPL (0.40) | ROCK1LPLLIPG | |
| SCHEMBL13125462 | 0.79 | LMNA (0.38) | KDM4EP4HBROCK1F2F11 | |
| SCHEMBL12470639 | 0.77 | HSD17B10 (0.36) | KDM4EALDH1A1 | |
| SCHEMBL16535080 | 0.75 | CES2 (0.37) | ROCK1F2F11PRSS1PRSS2 | |
| SCHEMBL13125464 | 0.75 | ROCK1 (0.33) | P4HBROCK1F2F11PRSS1 | |
| SCHEMBL23354375 | 0.75 | CES2 (0.38) | P4HBROCK1F2F11PRSS1 | |
| SCHEMBL17939966 | 0.74 | ROCK1 (0.39) | KDM4EP4HBROCK1F2F11 | |
| SCHEMBL10059440 | 0.74 | RXRA (0.35) | KDM4ENOTUMROCK1F2F11 | |
| SCHEMBL17873998 | 0.74 | RXRA (0.35) | KDM4ENOTUMP4HBROCK1F2 | |
| SCHEMBL17939981 | 0.74 | LPL (0.35) | KDM4EP4HBROCK1F2F11 |
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-2023179600-A1 | NOVEL SUBSTITUTED MACROHETEROCYCLIC COMPOUNDS AND USE THEREOF | 杭州德睿智药科技有限公司 | 2023-09-28 | — | — | WO | disclosed |