Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155578 | 0.81 | NPC1 (0.36) | RETNPC1RAB9AMEN1KMT2A | |
| SCHEMBL28317158 | 0.81 | NPC1 (0.36) | RETNPC1RAB9AMEN1KMT2A | |
| SCHEMBL20155435 | 0.80 | KDR (0.35) | KDRSMN1; SMN2ADRA2AADRA2BADRA2C | |
| SCHEMBL20155547 | 0.79 | MAPT (0.40) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL20155722 | 0.75 | EGFR (0.39) | RETKDREGFRERBB2 | |
| SCHEMBL6814869 | 0.72 | G6PC1 (0.54) | RETNPC1RAB9AMEN1KMT2A | |
| SCHEMBL6155306 | 0.72 | G6PC1 (0.54) | RETNPC1RAB9AMEN1KMT2A | |
| SCHEMBL20155151 | 0.71 | — | — | |
| SCHEMBL10798007 | 0.67 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL3080187 | 0.67 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2AGAA |
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-2018086604-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 |