Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 6/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAN2B1 | O00754 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6613807 | 0.99 | CXCR4 (0.37) | CXCR4DRD2TDP1TMEM97 | |
| SCHEMBL6612191 | 0.92 | CXCR4 (0.37) | CXCR4DRD2TDP1MAN2B1 | |
| SCHEMBL6608288 | 0.91 | CXCR4 (0.37) | CXCR4DRD2TDP1MAN2B1TMEM97 | |
| SCHEMBL6614173 | 0.88 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL6611927 | 0.87 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL6279101 | 0.86 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL6278815 | 0.86 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL6281723 | 0.86 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL6283611 | 0.86 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL5471671 | 0.83 | CA14 (0.40) | CXCR4 |
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-1114037-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AG (DE) | 2004-05-12 | — | — | EP | disclosed |