Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Heptanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3-Octanol SCHEMBL4785480 | 0.93 | GPR84 (0.61) | CA2MAPK1GPR84FFAR1FFAR4 | |
| Acetic Acid SCHEMBL8669158 | 0.90 | FFAR1 (0.59) | CA2MAPK1GPR84FFAR1FFAR4 | |
| 3-Heptanol SCHEMBL7527598 | 0.87 | — | — | |
| 3-Heptanol SCHEMBL12399 | 0.87 | — | — | |
| 3-Heptanol SCHEMBL26280 | 0.87 | — | — | |
| Acetic Acid SCHEMBL8660769 | 0.86 | FFAR1 (0.55) | CA2MAPK1GPR84FFAR1FFAR4 | |
| Hexan-3-Ol SCHEMBL6768005 | 0.85 | CHRM1 (0.46) | CA2MAPK1GPR84FFAR1FFAR4 | |
| 3-Heptanol SCHEMBL31475518 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL27383700 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL1876332 | 0.85 | ALDH1A1 (0.46) | CA2MAPK1GPR84FFAR1FFAR4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8427733-B2 | Electrochemical device | ACREO AB (SE) | 2013-04-23 | — | — | US | disclosed |
| EP-2097786-B1 | IONIC LIQUID | ACREO AB (SE) | 2012-03-07 | — | — | EP | disclosed |
| EP-2097786-A1 | IONIC LIQUID | Sericol Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| US-20090008031-A1 | IONIC LIQUID | ACREO AB (SE) | 2009-01-08 | — | — | US | disclosed |
| WO-2008062149-A1 | IONIC LIQUID | SERICOL LIMITED (GB) | 2008-05-29 | — | — | WO | disclosed |