Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.32 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.32 |
| ▸ | ENPEP | Q07075 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10047547 | 0.82 | GABRR1 (0.39) | ACE2GABRR1CYP1A2FOLH1NAALAD2 | |
| SCHEMBL27884510 | 0.81 | ACE2 (0.37) | ACE2GABRR1CYP1A2CHRM1AKR1A1 | |
| SCHEMBL20508274 | 0.80 | — | — | |
| SCHEMBL28091651 | 0.78 | ACE2 (0.38) | ACE2GABRR1CYP1A2CHRM1AKR1A1 | |
| SCHEMBL28684992 | 0.77 | GABRR1 (0.39) | ACE2GABRR1CYP1A2FOLH1NAALAD2 | |
| SCHEMBL18762598 | 0.77 | SLC1A2 (0.44) | — | |
| SCHEMBL12473062 | 0.77 | TDP1 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL18775000 | 0.77 | SLC1A2 (0.44) | — | |
| SCHEMBL18775003 | 0.77 | SLC1A2 (0.44) | — | |
| SCHEMBL14399795 | 0.76 | GABRR1 (0.48) | GABRR1CYP1A2FOLH1NAALAD2ENPEP |
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-100462351-C | Amino acids having affinity for the alpha 2 delta protein | WARNER LAMBERT CO (US) | 2009-02-18 | — | — | CN | disclosed |
| CN-1817854-A | Amino acids with affinity for the alpha-2-delta protein | WARNER LAMBERT CO (US) | 2006-08-16 | — | — | CN | disclosed |
| CN-1653036-A | Amino acids having affinity for the alpha 2 delta protein | WARNER LAMBERT CO (US) | 2005-08-10 | — | — | CN | disclosed |