Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 2/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 8/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
| ▸ | FPGS | Q05932 | 7/20 | 0.38 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018843 | 0.96 | CXCR4 (0.51) | FOLH1CXCR4TGM2DHFRTYMS | |
| SCHEMBL6018262 | 0.88 | CXCR4 (0.57) | FOLH1CXCR4TGM2DHFRTYMS | |
| SCHEMBL6017944 | 0.87 | CXCR4 (0.47) | FOLH1CXCR4PRSS1PRSS2PRSS3 | |
| SCHEMBL6018854 | 0.84 | CXCR4 (0.51) | FOLH1CXCR4TGM2DHFRTYMS | |
| SCHEMBL6018187 | 0.83 | FOLH1 (0.47) | FOLH1CXCR4FNTAFNTB | |
| SCHEMBL6018470 | 0.83 | CXCR4 (0.51) | FOLH1CXCR4TGM2DHFRTYMS | |
| SCHEMBL6018567 | 0.83 | CXCR4 (0.54) | FOLH1CXCR4DHFRTYMSFNTA | |
| SCHEMBL6018497 | 0.83 | CXCR4 (0.52) | FOLH1CXCR4TGM2DHFRTYMS | |
| SCHEMBL6018749 | 0.83 | CXCR4 (0.51) | FOLH1CXCR4DHFRPRSS1PRSS2 | |
| SCHEMBL6018574 | 0.82 | CXCR4 (0.51) | FOLH1CXCR4TGM2DHFRTYMS |
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 |