Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.56 |
| ▸ | EGFR | P00533 | 6/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.56 |
| ▸ | STK10 | O94804 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | YES1 | P07947 | 1/20 | 0.54 |
| ▸ | RET | P07949 | 1/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4742007 | 0.89 | KDR (0.56) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21801840 | 0.88 | KDR (0.70) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4737160 | 0.86 | KDR (0.62) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14066955 | 0.82 | EGFR (0.80) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4903776 | 0.82 | EGFR (0.80) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4342967 | 0.80 | EGFR (0.63) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1435666 | 0.79 | EGFR (0.79) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4739325 | 0.79 | HDAC3 (0.74) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4349463 | 0.78 | HDAC3 (0.64) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4741282 | 0.78 | HDAC3 (0.76) | KDRHDAC3HDAC4HDAC1HDAC7 |
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-2061772-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | Curis, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008033747-A9 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS INC (MA) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008033747-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS, INC. (US) | 2008-03-20 | — | — | WO | disclosed |