Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.50 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27577255 | 0.81 | MGAM (0.41) | CACNA2D1CACNB3CACNA1CADRA1ACYP1A2 | |
| SCHEMBL3205660 | 0.81 | GAA (0.46) | CACNA2D1CACNB3CACNA1CCYP1A2MGAM | |
| SCHEMBL1665693 | 0.81 | CYP1A2 (0.42) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2327828 | 0.81 | CYP1A2 (0.42) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7980052 | 0.79 | CACNA2D1 (0.58) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL15698640 | 0.79 | CACNA2D1 (0.58) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL15969817 | 0.79 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3291702 | 0.79 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3291696 | 0.79 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1456370 | 0.79 | MGAM (0.52) | CYP1A2MGAMGAASIMGAM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009038412-A2 | BETA-SECRETASE INHIBITING COMPOUNDS | LG LIFE SCIENCES, LTD. (KR) | 2009-03-26 | — | — | WO | disclosed |