Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 4/20 | 0.44 |
| ▸ | SRC | P12931 | 4/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | VCP | P55072 | 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 | |
|---|---|---|---|---|
| SCHEMBL4187478 | 0.88 | EGFR (0.49) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL4199410 | 0.85 | EGFR (0.53) | EGFRERBB2FYNSRCKDR | |
| SCHEMBL7219991 | 0.81 | EGFR (0.64) | EGFRERBB2 | |
| SCHEMBL4194286 | 0.81 | EGFR (0.74) | EGFRERBB2FYNSRC | |
| SCHEMBL27562080 | 0.80 | EGFR (0.60) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL2996939 | 0.79 | FYN (0.69) | EGFRERBB2FYNSRCVCP | |
| SCHEMBL2996940 | 0.79 | FYN (0.69) | EGFRERBB2FYNSRCVCP | |
| SCHEMBL2997502 | 0.79 | FYN (0.69) | EGFRERBB2FYNSRCVCP | |
| SCHEMBL7214980 | 0.79 | EGFR (0.63) | EGFRERBB2 | |
| SCHEMBL4346100 | 0.79 | EGFR (0.73) | EGFRERBB2FYNSRC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892789-B2 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER LAMBERT CO (US) | 2009-11-18 | — | — | EP | claimed |
| EP-0892789-B1 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER LAMBERT CO (US) | 2002-02-27 | — | — | EP | claimed |
| US-6602863-B1 | Irreversible inhibitors of tyrosine kinases | WARNER-LAMBERT COMPANY | 2003-08-05 | — | — | US | disclosed |