Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878613 | 0.94 | CA2 (0.63) | CA2MAPK1ACE2GRIK1GRIK2 | |
| SCHEMBL27480037 | 0.94 | CA2 (0.63) | CA2MAPK1ACE2GRIK1GRIK2 | |
| Trimethylammonium SCHEMBL6831780 | 0.89 | CHRM1 (0.55) | CA2MAPK1ACE2GRIK1GRIK2 | |
| SCHEMBL13580665 | 0.88 | CA2 (0.65) | CA2MAPK1ACE2GRIK1GRIK2 | |
| SCHEMBL13046472 | 0.86 | CA2 (0.52) | CA2MAPK1ACE2GRIK1GRIK2 | |
| Trimethylammonium SCHEMBL6829810 | 0.85 | CA2 (0.73) | CA2MAPK1ACE2GRIK1GRIK2 | |
| SCHEMBL14359878 | 0.84 | CA2 (0.77) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL27901184 | 0.84 | CA2 (0.77) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL14360381 | 0.84 | CA2 (0.77) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL5878857 | 0.83 | CA2 (0.70) | CA2MAPK1ACE2GRIK1GRIK2 |
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-6740317-B1 | AQUEOUS HAIR CARE COMPOSITION COMPRISING MACROCYCLIC LACTONE AND EICOSANOATE ESTER | MELALEUCA, INC. | 2004-05-25 | — | — | US | disclosed |