Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 15/20 | 0.58 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.58 |
| ▸ | SAT1 | P21673 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6250764 | 0.89 | CYP2C19 (0.55) | CXCR4CXCL12SAT1CYP2C19MEN1 | |
| SCHEMBL15884114 | 0.89 | CYP2C19 (0.55) | CXCR4CXCL12SAT1CYP2C19MEN1 | |
| SCHEMBL6250754 | 0.89 | CYP2C19 (0.55) | CXCR4CXCL12SAT1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL7563057 | 0.87 | CYP2C19 (0.52) | CXCR4CXCL12SAT1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL7563067 | 0.87 | CYP2C19 (0.52) | CXCR4CXCL12SAT1CYP2C19MEN1 | |
| SCHEMBL11232535 | 0.87 | RAD52 (0.44) | CXCR4CXCL12SAT1CYP2C19CYP1A2 | |
| SCHEMBL10939737 | 0.87 | CXCR4 (0.66) | CXCR4CXCL12 | |
| SCHEMBL4740476 | 0.85 | CYP2C19 (0.42) | CXCR4CXCL12SAT1CYP2C19MEN1 | |
| SCHEMBL4745523 | 0.84 | CXCR4 (0.62) | CXCR4CXCL12 | |
| SCHEMBL9417435 | 0.84 | CXCR4 (0.61) | CXCR4CXCL12 |
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-9944654-B2 | Nargenicin compounds and uses thereof as antibacterial agents | MERCK SHARP & DOHME CORP. (US) | 2018-04-17 | — | — | US | disclosed |