Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 8/20 | 0.73 |
| ▸ | EGFR | P00533 | 7/20 | 0.49 |
| ▸ | MET | P08581 | 4/20 | 0.48 |
| ▸ | KDR | P35968 | 4/20 | 0.48 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | ROS1 | P08922 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093504 | 0.81 | ERBB2 (0.70) | ERBB2EGFRMETKDRGRM1 | |
| SCHEMBL11965408 | 0.74 | EGFR (0.78) | ERBB2EGFRGRM1AURKBCLK4 | |
| SCHEMBL8082013 | 0.70 | EGFR (0.74) | ERBB2EGFRKDRGRM1 | |
| SCHEMBL7243965 | 0.70 | EGFR (0.79) | ERBB2EGFRCHEK2ROS1FLT3 | |
| SCHEMBL8558474 | 0.70 | ERBB2 (1.00) | ERBB2EGFRMETKDR | |
| SCHEMBL7886632 | 0.69 | ERBB2 (0.70) | ERBB2EGFRCHEK2ROS1FLT3 | |
| Hydrochloric Acid SCHEMBL7243031 | 0.69 | EGFR (0.77) | ERBB2EGFRCHEK2ROS1FLT3 | |
| SCHEMBL12094784 | 0.69 | EGFR (0.60) | ERBB2EGFRCHEK2ROS1FLT3 | |
| SCHEMBL9910666 | 0.69 | EGFR (0.66) | ERBB2EGFR | |
| Hydrochloric Acid SCHEMBL8893650 | 0.69 | ERBB2 (0.98) | ERBB2EGFRMETKDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153617-A | Irreversible bicyclic inhibitors of tyrosine kinases | WARNER-LAMBERT COMPANY (US) | 2000-11-28 | — | — | US | claimed |
| WO-1999006396-A1 | IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-02-11 | — | — | WO | claimed |
| US-6153617-A | Irreversible bicyclic inhibitors of tyrosine kinases | WARNER-LAMBERT COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| WO-1999006396-A1 | IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-02-11 | — | — | WO | disclosed |