Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121328 | 0.88 | ACHE (0.50) | ACHEBCHENOX1GPR84MLNR | |
| SCHEMBL4742301 | 0.80 | TRPA1 (0.50) | ACHEBCHENOX1GPR84ADORA3 | |
| SCHEMBL9507758 | 0.76 | BCHE (0.59) | ACHEBCHENOX1MLNRNR1I2 | |
| SCHEMBL10558596 | 0.76 | ACHE (0.50) | ACHEBCHENOX1GPR84MLNR | |
| SCHEMBL10502857 | 0.76 | NOX1 (0.50) | ACHEBCHENOX1GPR84ADRA2A | |
| SCHEMBL11010095 | 0.76 | TRPA1 (0.37) | ACHEBCHENOX1GPR84ADORA3 | |
| SCHEMBL9846697 | 0.74 | TRPA1 (0.38) | ACHEBCHENOX1GPR84ADORA3 | |
| SCHEMBL11002700 | 0.72 | GPR84 (0.45) | ACHEGPR84CHRM2HTR1AADRA2A | |
| SCHEMBL11097927 | 0.71 | TTR (0.37) | ACHEBCHENOX1GPR84HDAC6 | |
| SCHEMBL11001970 | 0.71 | HSD17B10 (0.41) | ACHEBCHENOX1GPR84HPGD |
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-3988467-A | Aminoacyl compounds | CIBA-GEIGY CORPORATION (US) | 1976-10-26 | — | — | US | disclosed |