Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.39 |
| ▸ | FNTA | P49354 | 3/20 | 0.39 |
| ▸ | FNTB | P49356 | 3/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | FPGS | Q05932 | 4/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6690684 | 1.00 | CXCR4 (0.40) | CXCR4FOLH1FNTAFNTBPGGT1B | |
| SCHEMBL6687483 | 0.91 | CXCR4 (0.40) | CXCR4FOLH1FNTAFNTBPGGT1B | |
| SCHEMBL6018294 | 0.90 | CXCR4 (0.41) | CXCR4FOLH1FNTAFNTBPGGT1B | |
| SCHEMBL6018480 | 0.90 | CXCR4 (0.41) | CXCR4FOLH1FNTAFNTBPGGT1B | |
| SCHEMBL6018129 | 0.89 | CXCR4 (0.51) | CXCR4FOLH1FNTAFNTBPGGT1B | |
| SCHEMBL6682711 | 0.89 | CXCR4 (0.40) | CXCR4FOLH1FNTAFNTBCASR | |
| SCHEMBL6018854 | 0.87 | CXCR4 (0.51) | CXCR4FOLH1FNTAFNTBPGGT1B | |
| SCHEMBL6656191 | 0.86 | CXCR4 (0.54) | CXCR4FNTAFNTBPGGT1BCASR | |
| SCHEMBL6655038 | 0.86 | CXCR4 (0.54) | CXCR4FNTAFNTBPGGT1BCASR | |
| SCHEMBL6683363 | 0.84 | FOLH1 (0.41) | CXCR4FOLH1FNTAFNTBCASR |
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 |