Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | OGG1 | O15527 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | KCNA1 | Q09470 | 2/20 | 0.39 |
| ▸ | KCNAB1 | Q14722 | 2/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | PRF1 | P14222 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3154277 | 0.85 | NAMPT (0.54) | NAMPTKEAP1NFE2L2KCNA1KCNAB1 | |
| SCHEMBL9959434 | 0.83 | NLRP3 (0.51) | KMT2AKCNA1KCNAB1PKLRHTR2A | |
| SCHEMBL9960391 | 0.80 | ALDH1A1 (0.45) | TRIM24CYP17A1HTR6 | |
| SCHEMBL9959634 | 0.79 | MAPT (0.50) | KMT2AKCNA1KCNAB1TRIM24CYP1A2 | |
| SCHEMBL9958481 | 0.78 | SMN1; SMN2 (0.52) | KMT2ATRIM24 | |
| SCHEMBL13763475 | 0.76 | NAMPT (0.49) | NAMPTKMT2AKEAP1NFE2L2HIF1A | |
| SCHEMBL9957615 | 0.75 | HTR6 (0.53) | HTR2CHTR6 | |
| SCHEMBL9958328 | 0.72 | HTR6 (0.53) | CYP1A2CYP3A4CYP2D6DRD2HTR2A | |
| SCHEMBL8311775 | 0.72 | GPR119 (0.51) | KCNA1KCNAB1TGFBR1 | |
| SCHEMBL7284689 | 0.71 | ESR2 (0.64) | DRD2DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081600-B1 | Combination of the NMDA- receptor ligand memantine and a compound with 5-HT6 receptor affinity | ESTEVE LABOR DR (ES) | 2012-12-05 | — | — | EP | claimed |
| EP-2007729-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2012-06-27 | — | — | EP | claimed |