Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.62 |
| ▸ | GAK | O14976 | 2/20 | 0.62 |
| ▸ | SRC | P12931 | 1/20 | 0.62 |
| ▸ | LCK | P06239 | 1/20 | 0.61 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.61 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.61 |
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 12/20 | 0.57 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29220499 | 0.85 | AURKB (0.79) | EGFRAURKAAURKBKDRMAPK14 | |
| SCHEMBL27793599 | 0.84 | KDR (0.65) | EGFRGAKLCKAURKAAURKB | |
| Hydrochloric Acid SCHEMBL27587585 | 0.82 | EGFR (0.66) | EGFRGAKLCKAURKAAURKB | |
| SCHEMBL23075143 | 0.81 | KDR (0.62) | EGFRGAKSRCLCKAURKA | |
| SCHEMBL28198357 | 0.81 | KDR (0.64) | EGFRAURKAAURKBKDRMAPK14 | |
| SCHEMBL27718809 | 0.80 | KDR (0.81) | EGFRSRCLCKAURKAAURKB | |
| Hydrochloric Acid SCHEMBL27451004 | 0.78 | KDR (0.67) | EGFRAURKAAURKBKDRMAPK14 | |
| SCHEMBL27463430 | 0.78 | MAPK14 (0.69) | EGFRSRCAURKAAURKBKDR | |
| SCHEMBL22590424 | 0.77 | KDR (0.58) | EGFRGAKSRCLCKAURKA | |
| SCHEMBL22407342 | 0.77 | KDR (0.63) | EGFRAURKAAURKBKDRMAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1100540-C | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | AVENTIS PHARMA INC (US) | 2003-02-05 | — | — | CN | disclosed |
| CN-1187129-A | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | RHONE POULENC RORER PHARMA (US) | 1998-07-08 | — | — | CN | disclosed |