Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.33 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10995391 | 1.00 | GABRR1 (0.38) | GABRR1CYP1A2ALDH1A1TSHRFOLH1 | |
| SCHEMBL4585236 | 0.88 | GABRR1 (0.46) | GABRR1CYP1A2FOLH1NAALAD2ENPEP | |
| SCHEMBL4585237 | 0.88 | GABRR1 (0.46) | GABRR1CYP1A2FOLH1NAALAD2ENPEP | |
| SCHEMBL11128953 | 0.81 | GABRR1 (0.41) | GABRR1CYP1A2FOLH1NAALAD2ENPEP | |
| SCHEMBL11128951 | 0.81 | GABRR1 (0.41) | GABRR1CYP1A2FOLH1NAALAD2ENPEP | |
| SCHEMBL10990718 | 0.79 | — | — | |
| SCHEMBL10990706 | 0.79 | — | — | |
| SCHEMBL16744146 | 0.79 | GRIK1 (0.50) | GABRR1CYP1A2ALDH1A1FOLH1NAALAD2 | |
| SCHEMBL10688481 | 0.79 | GRIK1 (0.50) | GABRR1CYP1A2ALDH1A1FOLH1NAALAD2 | |
| SCHEMBL6908844 | 0.79 | GRIK1 (0.50) | GABRR1CYP1A2ALDH1A1FOLH1NAALAD2 |
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-4524151-A | 7-Oxabicycloheptane thio ethers useful as cardiovascular agents | E. R. SQUIBB & SONS, INC. (US) | 1985-06-18 | — | — | US | disclosed |