Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.61 |
| ▸ | KDR | P35968 | 9/20 | 0.58 |
| ▸ | RET | P07949 | 3/20 | 0.58 |
| ▸ | KIF5B | P33176 | 3/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | FBP1 | P09467 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30820387 | 1.00 | EGFR (0.61) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL30820457 | 0.90 | EGFR (0.73) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL27152271 | 0.90 | EGFR (0.73) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL30820600 | 0.83 | FBP1 (0.62) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL29168723 | 0.83 | FBP1 (0.62) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL30820511 | 0.83 | EGFR (0.64) | EGFRKDRRETKIF5BERBB2 | |
| Hydrochloric Acid SCHEMBL28028746 | 0.81 | KDR (0.81) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL30822070 | 0.79 | EGFR (0.53) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL30820401 | 0.76 | NPC1 (0.70) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL5864702 | 0.76 | EGFR (0.77) | EGFRKDRRETKIF5BERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117693505-A | Heteroaryl derivative compounds and uses thereof | 沃若诺伊公司 | 2024-03-12 | — | — | CN | disclosed |