Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9619137 | 0.91 | CHRM1 (0.55) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27922525 | 0.87 | CHRM1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28042245 | 0.84 | HDAC1 (0.37) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL9619148 | 0.81 | HDAC1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27941084 | 0.78 | CA2 (0.47) | GRIK1SLC1A3SLC1A2SLC1A1GRIK2 | |
| SCHEMBL7779103 | 0.78 | GPR84 (0.55) | GRIK1SLC1A2SLC1A1GRIK2CA2 | |
| SCHEMBL28364272 | 0.78 | GPR84 (0.55) | GRIK1SLC1A2SLC1A1GRIK2CA2 | |
| SCHEMBL7204731 | 0.78 | GPR84 (0.55) | GRIK1SLC1A2SLC1A1GRIK2CA2 | |
| SCHEMBL27805083 | 0.78 | CA2 (0.47) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL31607 | 0.77 | HDAC1 (0.63) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100482680-C | excitatory amino acid prodrugs | LILLY CO ELI (US) | 2009-04-29 | — | — | CN | disclosed |
| CN-101362793-A | Prodrugs of excitatory amino acids | LILLY CO ELI (US) | 2009-02-11 | — | — | CN | disclosed |
| CN-101084236-A | excitatory amino acid prodrugs | LILLY CO ELI (US) | 2007-12-05 | — | — | CN | disclosed |