Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 9/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | PPARD | Q03181 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.48 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6380876 | 1.00 | GPR84 (0.50) | GPR84FFAR1PPARDMAPTLCK | |
| Bicarbonate SCHEMBL8169086 | 0.94 | GPR84 (0.52) | GPR84FFAR1PPARDMAPTLCK | |
| Bicarbonate SCHEMBL32662845 | 0.94 | GPR84 (0.52) | GPR84FFAR1PPARDMAPTLCK | |
| Bicarbonate SCHEMBL10006738 | 0.94 | GPR84 (0.52) | GPR84FFAR1PPARDMAPTLCK | |
| Propionic Acid SCHEMBL6382379 | 0.90 | GPR84 (0.50) | GPR84FFAR1PPARDMAPTLCK | |
| SCHEMBL23437576 | 0.87 | TSHR (0.44) | GPR84TSHR | |
| SCHEMBL20835164 | 0.87 | TSHR (0.44) | GPR84TSHR | |
| SCHEMBL22096531 | 0.87 | TSHR (0.44) | GPR84TSHR | |
| SCHEMBL23437458 | 0.87 | TSHR (0.44) | GPR84TSHR | |
| SCHEMBL20882132 | 0.87 | TSHR (0.44) | GPR84TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7179773-B2 | Fungicidal composition | GSI CAMDEN PRODUCTS, LLC (US) | 2007-02-20 | — | — | US | disclosed |
| US-20060287218-A1 | Fungicidal composition | GSI CAMDEN PRODUCTS, INC. | 2006-12-21 | — | — | US | disclosed |
| EP-0328335-A1 | Antifouling composition | WAITOMO INDUSTRIAL INVESTMENTS LTD. (CA) | 1989-08-16 | — | — | EP | disclosed |