Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.39 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2416448 | 1.00 | SMN1; SMN2 (0.47) | SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB | |
| SCHEMBL4023087 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB | |
| SCHEMBL18124448 | 0.82 | MMP1 (0.38) | — | |
| SCHEMBL9068878 | 0.82 | MME (0.54) | SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB | |
| SCHEMBL11410186 | 0.79 | CYP1A2 (0.55) | SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB | |
| SCHEMBL11949476 | 0.78 | MME (0.60) | ALDH1A1MMEFOLH1NAALAD2ACE | |
| SCHEMBL9098442 | 0.78 | NAALAD2 (0.42) | ALDH1A1MMEFOLH1NAALAD2ACE | |
| SCHEMBL13963514 | 0.78 | PLA2G2A (0.58) | SMN1; SMN2PLA2G2APLA2G5ACE2 | |
| SCHEMBL3225061 | 0.78 | PLA2G2A (0.58) | SMN1; SMN2PLA2G2APLA2G5ACE2 | |
| SCHEMBL1734807 | 0.78 | ALDH1A1 (0.46) | SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB |
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-2011113066-A1 | METHODS AND SYSTEMS USING INTEGRATED METABOLOMICS AND PHARMACOKINETICS FOR MULTI-COMPONENT DRUG EVALUATION | THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) | 2011-09-15 | — | — | WO | disclosed |