Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 16/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6681763 | 0.91 | HDAC1 (0.45) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6018210 | 0.85 | CXCR4 (0.39) | HDAC1HDAC6CXCR4ADORA2ASLC40A1 | |
| SCHEMBL6687600 | 0.83 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL7059188 | 0.80 | HDAC1 (0.36) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6018202 | 0.80 | CXCR4 (0.47) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6018478 | 0.79 | CXCR4 (0.36) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6018557 | 0.77 | HDAC1 (0.43) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6019591 | 0.77 | CXCR4 (0.36) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6019781 | 0.77 | CXCR4 (0.40) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL6990541 | 0.76 | FOLH1 (0.37) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 |
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-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |