Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAK | O14976 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6505388 | 1.00 | EGFR (0.58) | EGFRERBB2KDM4EGAKMAPK13 | |
| SCHEMBL1417841 | 0.96 | EGFR (0.60) | EGFRERBB2 | |
| SCHEMBL6502203 | 0.96 | EGFR (0.60) | EGFRERBB2 | |
| SCHEMBL1417878 | 0.94 | EGFR (0.58) | EGFRERBB2KDM4EGAKMAPK13 | |
| SCHEMBL1417879 | 0.94 | EGFR (0.58) | EGFRERBB2KDM4EGAKMAPK13 | |
| SCHEMBL1417850 | 0.91 | EGFR (0.59) | EGFRERBB2KDR | |
| SCHEMBL1417848 | 0.91 | EGFR (0.59) | EGFRERBB2KDR | |
| SCHEMBL1417896 | 0.90 | EGFR (0.63) | EGFRERBB2KDM4EGAKMAPK13 | |
| SCHEMBL1417899 | 0.90 | EGFR (0.63) | EGFRERBB2KDM4EGAKMAPK13 | |
| SCHEMBL1418061 | 0.90 | EGFR (0.62) | EGFRERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6972288-B1 | 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2005-12-06 | — | — | US | disclosed |