Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 13/20 | 0.73 |
| ▸ | KDR | P35968 | 12/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.73 |
| ▸ | HDAC4 | P56524 | 10/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.73 |
| ▸ | HDAC7 | Q8WUI4 | 10/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.73 |
| ▸ | HDAC10 | Q969S8 | 10/20 | 0.73 |
| ▸ | HDAC11 | Q96DB2 | 10/20 | 0.73 |
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.73 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.73 |
| ▸ | HDAC9 | Q9UKV0 | 10/20 | 0.73 |
| ▸ | HDAC5 | Q9UQL6 | 10/20 | 0.73 |
| ▸ | EGFR | P00533 | 6/20 | 0.73 |
| ▸ | CSF1R | P07333 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4728921 | 0.89 | ERBB2 (0.75) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL4335551 | 0.89 | ERBB2 (0.75) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL4739267 | 0.87 | KDR (0.69) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL4730490 | 0.86 | KDR (0.82) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL4737136 | 0.85 | KDR (0.69) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL14123558 | 0.85 | KDR (0.78) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL14123620 | 0.85 | KDR (0.78) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL14076595 | 0.85 | ERBB2 (0.72) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL4899873 | 0.84 | ERBB2 (1.00) | ERBB2KDRHDAC3HDAC4HDAC1 | |
| SCHEMBL4899888 | 0.84 | ERBB2 (1.00) | ERBB2KDRHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008033747-A9 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS INC (MA) | 2008-07-24 | — | — | WO | disclosed |