Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 4/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27665639 | 0.90 | ADRA1A (0.50) | BCHETYRACHEGRIK1GRIK2 | |
| SCHEMBL27665581 | 0.88 | TAS1R3 (0.44) | BCHETYRACHETAS1R3TAS1R1 | |
| SCHEMBL4990738 | 0.85 | ADRA1A (0.45) | BCHETYRACHEAKR1C3AKR1C2 | |
| SCHEMBL27665413 | 0.84 | KDM4E (0.46) | AKR1C3AKR1C2HSD17B10L3MBTL1ALDH1A1 | |
| SCHEMBL28758254 | 0.84 | BCHE (0.41) | BCHETYRACHEGRIK1GRIK2 | |
| SCHEMBL27665259 | 0.83 | MEN1 (0.39) | GRIK1GRIK2GRIK3 | |
| SCHEMBL28758261 | 0.82 | GRIK1 (0.41) | ACHEGRIK1GRIK2AKR1C3AKR1C2 | |
| SCHEMBL27644451 | 0.82 | GRIK1 (0.43) | GRIK1GRIK2ADRA2AADRA1AHSD17B10 | |
| SCHEMBL27665354 | 0.80 | AOC3 (0.44) | ACHEGRIK1GRIK2HSD17B10TDP1 | |
| SCHEMBL21164583 | 0.80 | CA12 (0.52) | BCHETYRACHETAS1R3TAS1R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1886363-A | Amino acids with affinity for the alpha2delta-protein | WARNER LAMBERT CO (US) | 2006-12-27 | — | — | CN | claimed |
| CN-1886363-A | Amino acids with affinity for the alpha2delta-protein | WARNER LAMBERT CO (US) | 2006-12-27 | — | — | CN | disclosed |