Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 3/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.31 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5907858 | 0.79 | GABRR1 (0.46) | CYP1A2GABRR1BLMFOLH1NAALAD2 | |
| SCHEMBL10046704 | 0.76 | CYP1A2 (0.38) | CYP1A2MAPK1DPP4GABRR1BLM | |
| SCHEMBL103178 | 0.73 | GABRR1 (0.41) | CYP1A2GABRR1BLMFOLH1NAALAD2 | |
| SCHEMBL5538685 | 0.73 | GABRR1 (0.41) | CYP1A2GABRR1BLMFOLH1NAALAD2 | |
| SCHEMBL20000110 | 0.72 | CYP1A2 (0.90) | CYP1A2MAPK1DPP4 | |
| SCHEMBL30925080 | 0.71 | GABRR1 (0.39) | CYP1A2GABRR1BLMFOLH1NAALAD2 | |
| SCHEMBL5536244 | 0.70 | — | — | |
| SCHEMBL4755489 | 0.70 | — | — | |
| SCHEMBL28728045 | 0.70 | — | — | |
| SCHEMBL14024456 | 0.70 | GABRR1 (0.38) | CYP1A2GABRR1BLMFOLH1NAALAD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017174413-A1 | MIXTURES OF CHELATING AGENTS, AND PROCESS FOR MAKING SUCH MIXTURES | BASF SE (DE) | 2017-10-12 | — | — | WO | disclosed |
| WO-2016142228-A1 | PROCESS FOR MAKING MIXTURES OF ENANTIOMERS, AND MIXTURES OF ENANTIOMERS | BASF SE (DE) | 2016-09-15 | — | — | WO | disclosed |