Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 14/20 | 0.85 |
| ▸ | KIT | P10721 | 10/20 | 0.85 |
| ▸ | PDGFRA | P16234 | 9/20 | 0.85 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.76 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.76 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.76 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.76 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.76 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.76 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.76 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.76 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.76 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.76 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.76 |
| ▸ | FLT1 | P17948 | 4/20 | 0.72 |
| ▸ | FLT4 | P35916 | 3/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL20729866 | 0.92 | KDR (0.81) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL20729853 | 0.92 | KDR (0.83) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL23587680 | 0.92 | KDR (0.71) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL13528237 | 0.90 | KDR (0.78) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL20729841 | 0.87 | HDAC1 (1.00) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL1687028 | 0.86 | ABCB11 (0.73) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL20729840 | 0.85 | KDR (0.73) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL5799466 | 0.85 | KDR (0.74) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL8213998 | 0.85 | KDR (0.74) | KDRKITPDGFRAHDAC1HDAC6 | |
| SCHEMBL27929736 | 0.85 | KDR (0.74) | KDRKITPDGFRAHDAC1HDAC6 |
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-2380572-A1 | Cancer treatment method | Glaxosmithkline LLC (US) | 2011-10-26 | — | — | EP | disclosed |