Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 9/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 2/20 | 0.33 |
| ▸ | METAP1 | P53582 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018341 | 0.90 | CXCR4 (0.38) | CXCR4HDAC1HDAC6FNTAFNTB | |
| SCHEMBL6018159 | 0.87 | HDAC1 (0.41) | CXCR4HDAC1HDAC6FNTAFNTB | |
| SCHEMBL6018347 | 0.86 | FOLH1 (0.37) | CXCR4HDAC1HDAC6FNTAFNTB | |
| SCHEMBL6990541 | 0.86 | FOLH1 (0.37) | CXCR4HDAC1HDAC6FNTAFNTB | |
| SCHEMBL6018818 | 0.86 | FOLH1 (0.37) | CXCR4HDAC1HDAC6FNTAFNTB | |
| SCHEMBL6018112 | 0.82 | HDAC1 (0.44) | CXCR4HDAC1HDAC6CTSLCTSS | |
| SCHEMBL6018125 | 0.82 | HDAC1 (0.40) | CXCR4HDAC1HDAC6FNTAFNTB | |
| SCHEMBL6019435 | 0.82 | MMP2 (0.38) | CXCR4HDAC1HDAC6 | |
| SCHEMBL6017976 | 0.82 | CXCR4 (0.61) | CXCR4FNTAFNTBPGGT1BMETAP2 | |
| SCHEMBL6018408 | 0.80 | HDAC1 (0.38) | CXCR4HDAC1HDAC6CTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-7098215-B2 | Nitrogenous compounds and antiviral drugs containing the same | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-08-29 | — | — | US | claimed |