Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 3/20 | 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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL1894896 | 0.97 | CA2 (0.67) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL1899777 | 0.89 | CA2 (0.74) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL16594095 | 0.87 | CA2 (0.50) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL14956400 | 0.85 | CA2 (0.56) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL25213321 | 0.85 | CA2 (0.80) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL12816586 | 0.85 | CA2 (0.80) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL452531 | 0.85 | CA2 (0.80) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL1894894 | 0.85 | CA2 (0.80) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL8078743 | 0.85 | CA2 (0.80) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL617499 | 0.85 | CA2 (0.80) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1008643-B1 | Refrigerator oil composition, and method of using the composition for lubrication | IDEMITSU KOSAN CO (JP) | 2014-12-03 | — | — | EP | disclosed |
| EP-2325290-A1 | Refrigerator oil composition, and method of using the composition for lubrication | IDEMITSU KOSAN CO., LTD. (JP) | 2011-05-25 | — | — | EP | disclosed |
| US-6354094-B2 | CO2 REFRIGERANT; ESTER-BASED LUBRICATING OIL SUCH AS A MIXED C 8-9 MIXED BRANCHED FATTY ACID ESTER OF PENTAERYTHRITOL OR A CARBONATE; CAN BE STABLY USED FOR A LONG PERIOD OF TIME IN A COMPRESSION REFRIGERATION CYCLE | IDEMITSU KOSAN CO., LTD. (JP) | 2002-03-12 | — | — | US | disclosed |
| EP-1008643-A2 | Refrigerator oil composition, and method of using the composition for lubrication | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2000-06-14 | — | — | EP | disclosed |