Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 9/20 | 0.56 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.49 |
| ▸ | FLT1 | P17948 | 2/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 4/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MERTK | Q12866 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18256946 | 0.85 | MET (0.54) | METGRM4FLT1AURKBAXL | |
| SCHEMBL18256970 | 0.85 | MET (0.52) | METGRM4FLT1AURKBRAB9A | |
| SCHEMBL22210776 | 0.84 | MET (0.53) | METGRM4FLT1AURKBAXL | |
| SCHEMBL18256945 | 0.84 | MET (0.53) | METGRM4FLT1AURKBAXL | |
| SCHEMBL20003906 | 0.83 | KDR (0.56) | METRAB9AKDRRETKIT | |
| SCHEMBL28524761 | 0.77 | NPC1 (0.54) | RAB9AKMT2A | |
| SCHEMBL22643534 | 0.77 | MET (0.47) | METGRM4FLT1AURKBAXL | |
| SCHEMBL30616270 | 0.76 | ALDH1A1 (0.45) | METFLT1AURKBRAB9AAXL | |
| SCHEMBL16136597 | 0.76 | MET (0.67) | METFLT1AURKBAXLKDR | |
| SCHEMBL27778083 | 0.76 | KDR (0.43) | METRAB9AKDRKMT2AABL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299369-A1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2018-03-28 | — | — | EP | disclosed |