Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | 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 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599659 | 1.00 | CA2 (0.53) | CA2MAPK1ACE2CHRM1AKR1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL503469 | 0.92 | CA2 (0.62) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL9562918 | 0.90 | CA2 (0.50) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28370081 | 0.90 | ACE2 (0.49) | CA2MAPK1ACE2CA1SLC1A2 | |
| 2-Ethylhexanoic Acid SCHEMBL14956430 | 0.89 | CA2 (0.59) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL16338274 | 0.85 | CHRM1 (0.48) | CA2MAPK1ACE2CHRM1AKR1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL7594991 | 0.84 | CA2 (0.74) | CA2MAPK1ACE2CHRM1AKR1A1 | |
| SCHEMBL22289084 | 0.83 | CA2 (0.70) | CA2MAPK1ACE2CHRM1AKR1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL14956487 | 0.81 | CA2 (0.43) | CA2MAPK1ACE2CA1SLC1A2 | |
| 2-Ethylhexanoic Acid SCHEMBL6035471 | 0.81 | CA2 (0.80) | CA2MAPK1ACE2CHRM1AKR1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0903335-B1 | USE OF ESTER COMPOUNDS IN LUBRICATING OIL COMPOSITIONS | KAO CORP (JP) | 2002-11-27 | — | — | EP | disclosed |
| US-6228820-B1 | CONTACTING METAL IN COMPRESSOR WITH LUBRICANT COMPOSITION COMPRISING HINDERED ESTER COMPOUND OBTAINED FROM HINDERED ALCOHOL AND PARTICULAR BRANCHED CARBOXYLIC ACID | KAO CORPORATION (JP) | 2001-05-08 | — | — | US | disclosed |
| EP-0903335-A1 | ESTER COMPOUNDS AND LUBRICATING OIL COMPOSITION | Kao Corporation (JP) | 1999-03-24 | — | — | EP | disclosed |