Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 18/20 | 0.75 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.75 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.75 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.75 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.75 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.75 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.75 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.75 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.75 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.75 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.75 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.75 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.75 |
| ▸ | KDR | P35968 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL643113 | 0.92 | EGFR (0.82) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL13883015 | 0.89 | EGFR (0.84) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL18979076 | 0.89 | EGFR (0.84) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL17520331 | 0.88 | EGFR (0.84) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL18978840 | 0.86 | EGFR (0.78) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL26159048 | 0.86 | EGFR (0.84) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL13882709 | 0.86 | EGFR (0.77) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL4567201 | 0.86 | HDAC3 (1.00) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL13882704 | 0.86 | EGFR (0.87) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL641676 | 0.86 | HDAC3 (1.00) | EGFRERBB2HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2190287-B1 | TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS INC (US) | 2014-10-29 | — | — | EP | disclosed |