Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13909513 | 0.89 | HDAC1 (0.54) | HDAC1HDAC6KDM4ECXCR4ADORA2A | |
| SCHEMBL13909588 | 0.86 | HDAC1 (0.60) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| SCHEMBL13909590 | 0.84 | HDAC1 (0.62) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| SCHEMBL14037709 | 0.84 | HDAC1 (0.64) | HDAC1HDAC6KDM4ECXCR4ADORA2A | |
| SCHEMBL13909820 | 0.83 | HDAC1 (0.76) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| SCHEMBL29823139 | 0.80 | HDAC1 (0.62) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| SCHEMBL1882612 | 0.80 | HDAC1 (0.62) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| Bromide SCHEMBL4543315 | 0.79 | HDAC1 (0.61) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| SCHEMBL4887341 | 0.79 | HDAC1 (0.69) | HDAC1HDAC6KDM4ECXCR4CYP3A4 | |
| SCHEMBL4562865 | 0.79 | HDAC1 (0.69) | HDAC1HDAC6KDM4ECXCR4CYP3A4 |
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-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |