Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
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-Nonanol SCHEMBL2917259 | 0.98 | GPR84 (0.44) | GPR84FFAR1FFAR4ACE2CA1 | |
| SCHEMBL2917644 | 0.84 | GPR84 (0.49) | GPR84FFAR1FFAR4MAPTLCK | |
| 3-Heptanol SCHEMBL3763450 | 0.80 | GPR84 (0.40) | GPR84FFAR1FFAR4CA1MAPT | |
| SCHEMBL28434617 | 0.79 | CHRM1 (0.35) | GPR84FFAR1 | |
| SCHEMBL3759179 | 0.78 | FAAH (0.42) | GPR84FFAR1ACE2CA1MAPT | |
| Propylene Glycol SCHEMBL28475953 | 0.78 | TDP1 (0.42) | — | |
| SCHEMBL15608384 | 0.78 | GPR84 (0.43) | GPR84FFAR1FFAR4MAPTLCK | |
| Cyclohexane SCHEMBL8728984 | 0.78 | SPHK1 (0.52) | GPR84FFAR1FFAR4ACE2MAPT | |
| 1-Heptanol SCHEMBL4636054 | 0.77 | TSHR (0.48) | GPR84FFAR1FFAR4PPARD | |
| SCHEMBL12501880 | 0.77 | TSHR (0.43) | GPR84FFAR1FFAR4PPARDFAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-20100310891-A1 | Compositions Based on C4-C7 Secondary Aliphatic Alcohol Esters of Cyclohexanecarboxylic Acids | EXXONMOBIL CHEMICAL PATENTS INC. | 2010-12-09 | — | — | US | disclosed |
| WO-2009070399-A1 | COMPOSITIONS BASED ON C4-C7 SECONDARY ALIPHATIC ALCOHOL ESTERS OF CYCLOHEXANECARBOXYLIC ACIDS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-06-04 | — | — | WO | disclosed |