Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL809574 | 1.00 | CHRM1 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL814572 | 1.00 | CHRM1 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL8948267 | 0.87 | ACHE (0.42) | TSHRACHEBACE1CA1FDPS | |
| SCHEMBL8948270 | 0.87 | ACHE (0.42) | TSHRACHEBACE1CA1FDPS | |
| SCHEMBL8948047 | 0.85 | CA1 (0.44) | CA1 | |
| SCHEMBL8948043 | 0.85 | CA1 (0.44) | CA1 | |
| SCHEMBL8948019 | 0.84 | ACE2 (0.43) | CA1 | |
| SCHEMBL8948016 | 0.84 | ACE2 (0.43) | CA1 | |
| SCHEMBL17021602 | 0.82 | GABRP (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL11762612 | 0.82 | CA1 (0.34) | TDP1CA1 |
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-2006007586-A1 | ORGANOCATALYSTS AND METHODS OF USE IN CHEMICAL SYNTHESIS | SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) | 2006-01-19 | — | — | WO | disclosed |