Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 16/20 | 0.56 |
| ▸ | PDGFRB | P09619 | 7/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.56 |
| ▸ | KDR | P35968 | 6/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.56 |
| ▸ | BCR | P11274 | 11/20 | 0.55 |
| ▸ | KIT | P10721 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4087660 | 1.00 | ABL1 (0.56) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL6531698 | 0.91 | ABL1 (0.51) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4080309 | 0.91 | ABL1 (0.54) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4080315 | 0.91 | ABL1 (0.54) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4079765 | 0.89 | ABL1 (0.72) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4079758 | 0.89 | ABL1 (0.72) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| Water SCHEMBL4087659 | 0.84 | ABL1 (0.60) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4082784 | 0.84 | ABL1 (0.78) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4082778 | 0.84 | ABL1 (0.78) | ABL1PDGFRBHDAC3KDRHDAC4 | |
| SCHEMBL4079841 | 0.79 | ABL1 (0.56) | ABL1PDGFRBHDAC3KDRHDAC4 |
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-2060565-A1 | Novel bifunctional compounds which inhibit protein kinases and histone deacetylases | 4SC AG (DE) | 2009-05-20 | — | — | EP | disclosed |