Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | PPM1B | O75688 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL12440138 | 0.86 | GLO1 (0.37) | CYP2D6CYP2C19GLO1MAPTNPSR1 | |
| SCHEMBL15791080 | 0.77 | CYP2D6 (0.32) | CYP2D6CYP2C19GLO1 | |
| SCHEMBL2219500 | 0.74 | DRD2 (0.40) | ALDH1A1GAA | |
| SCHEMBL16541610 | 0.74 | DRD2 (0.40) | ALDH1A1GAA | |
| SCHEMBL1809474 | 0.72 | ALDH1A1 (0.42) | CYP2D6CYP2C19GLO1MAPTNPSR1 | |
| SCHEMBL2970867 | 0.72 | ABCB11 (0.30) | LMNA | |
| SCHEMBL2970868 | 0.72 | ABCB11 (0.30) | LMNA | |
| SCHEMBL31569987 | 0.71 | AR (0.36) | CYP2D6MAPTNPSR1LMNAL3MBTL1 | |
| SCHEMBL11858920 | 0.71 | LMNA (0.33) | LMNA | |
| SCHEMBL25689697 | 0.70 | GLO1 (0.47) | CYP2D6CYP2C19GLO1MAPTNPSR1 |
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-9682993-B2 | Anticancer compounds | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2017-06-20 | — | — | US | disclosed |