Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28634 | 0.91 | — | — | |
| SCHEMBL1259816 | 0.78 | — | — | |
| SCHEMBL26191 | 0.78 | — | — | |
| SCHEMBL5774601 | 0.76 | HTT (0.30) | — | |
| SCHEMBL26098 | 0.76 | — | — | |
| SCHEMBL6050112 | 0.72 | — | — | |
| SCHEMBL2921111 | 0.71 | KDM4E (0.36) | CXCR4KDM4E | |
| SCHEMBL24790625 | 0.70 | — | — | |
| SCHEMBL19057144 | 0.70 | — | — | |
| SCHEMBL5525441 | 0.70 | CXCR4 (0.32) | CXCR4CA2CHKAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1774435-A | 5-membered heterocyclic derivative | DAIICHI SEIYAKU CO (JP) | 2006-05-17 | — | — | CN | disclosed |
| CN-1759110-A | Pyrazole derivatives | DAIICHI SEIYAKU CO (JP) | 2006-04-12 | — | — | CN | disclosed |