Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 SCHEMBL4451782 | 0.93 | CA2 (0.54) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL617499 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL18334308 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL8078743 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL30444537 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL25213321 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL1894894 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL12816586 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL452531 | 0.81 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL22439766 | 0.81 | CA2 (0.87) | CA2MAPK1CA1SLC1A2SLC1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2130883-B1 | Aqueous coating agent for rubber, and rubber article coated with cured film of aqueous coating agent | SHINETSU CHEMICAL CO (JP) | 2018-10-17 | — | — | EP | disclosed |
| CN-102245558-A | Method for producing 2,2,4-trimethyl-1,3-pentanediol di-2-ethylhexanoate | EASTMAN CHEM CO | 2011-11-16 | — | — | CN | disclosed |
| EP-2365958-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | Eastman Chemical Company (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2365958-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | Eastman Chemical Company (US) | 2011-09-21 | — | — | EP | disclosed |
| WO-2010074703-A3 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | EASTMAN CHEMICAL COMPANY (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010074703-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | EASTMAN CHEMICAL COMPANY (US) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010074703-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | EASTMAN CHEMICAL COMPANY (US) | 2010-07-01 | — | — | WO | disclosed |
| US-7674931-B1 | Method for producing 2,2,4-trimethyl-1,3-pentanediol di-2-ethylhexanoate | EASTMAN CHEMICAL COMPANY (US) | 2010-03-09 | — | — | US | disclosed |
| US-7674931-B1 | Method for producing 2,2,4-trimethyl-1,3-pentanediol di-2-ethylhexanoate | EASTMAN CHEMICAL COMPANY (US) | 2010-03-09 | — | — | US | disclosed |
| EP-2130883-A2 | Aqueous coating agent for rubber, and rubber article coated with cured film of aqueous coating agent | Shin-Etsu Chemical Co., Ltd. (JP) | 2009-12-09 | — | — | EP | disclosed |