Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 4/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.32 |
| ▸ | CCKBR | P32239 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 2/20 | 0.31 |
| ▸ | FNTB | P49356 | 2/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
| ▸ | KLK1 | P06870 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6681620 | 0.90 | FOLH1 (0.43) | FOLH1CASRDHFRTGM2C3AR1 | |
| SCHEMBL6681809 | 0.89 | FOLH1 (0.39) | FOLH1CASRDHFRTGM2MC4R | |
| SCHEMBL6688643 | 0.85 | FOLH1 (0.38) | FOLH1CASRC3AR1CCKBRKLK1 | |
| SCHEMBL6683363 | 0.83 | FOLH1 (0.41) | FOLH1CASRDHFRTGM2MC4R | |
| SCHEMBL6018574 | 0.81 | CXCR4 (0.51) | FOLH1CASRDHFRTGM2CXCR4 | |
| SCHEMBL6682711 | 0.81 | CXCR4 (0.40) | FOLH1CASRDHFRTGM2CXCR4 | |
| SCHEMBL6687483 | 0.80 | CXCR4 (0.40) | FOLH1CASRDHFRTGM2CXCR4 | |
| SCHEMBL6017970 | 0.79 | CXCR4 (0.41) | FOLH1TGM2CXCR4CCKBR | |
| SCHEMBL6687885 | 0.77 | FOLH1 (0.41) | FOLH1CASRTGM2 | |
| SCHEMBL6686504 | 0.77 | CXCR4 (0.41) | FOLH1CASRDHFRTGM2CXCR4 |
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 |