Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NNMT | P40261 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20160235 | 0.85 | NNMT (0.34) | AURKACSF1RRETLTKCSNK1A1 | |
| SCHEMBL20160027 | 0.84 | L3MBTL1 (0.40) | ACVR1L3MBTL1NNMTRXFP1BRD9 | |
| SCHEMBL20159899 | 0.73 | RXFP1 (0.40) | LMNAL3MBTL1RXFP1BRD9TSHR | |
| SCHEMBL16259900 | 0.71 | ALDH1A1 (0.46) | CYP1A2LMNARXFP1BRD9BRD4 | |
| SCHEMBL14246870 | 0.71 | KAT2A (0.40) | L3MBTL1RXFP1BRD9TSHRMAPK1 | |
| SCHEMBL14246871 | 0.71 | KAT2A (0.40) | L3MBTL1RXFP1BRD9TSHRMAPK1 | |
| SCHEMBL25151509 | 0.70 | LMNA (0.49) | LMNAL3MBTL1NNMTHSD17B10RCE1 | |
| SCHEMBL16556413 | 0.67 | BRD4 (0.51) | LMNAL3MBTL1RXFP1BRD9TSHR | |
| SCHEMBL16140295 | 0.66 | RXFP1 (0.38) | LMNAL3MBTL1RXFP1BRD9TSHR | |
| SCHEMBL3284181 | 0.66 | CYP1A2 (0.74) | CYP1A2LMNANNMTRXFP1HSD17B10 |
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-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |