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 | 3/20 | 0.60 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.50 |
| ▸ | KDM4A | O75164 | 2/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.50 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.50 |
| ▸ | TET3 | O43151 | 1/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 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 | |
|---|---|---|---|---|
| SCHEMBL991839 | 0.95 | — | — | |
| SCHEMBL360594 | 0.95 | — | — | |
| SCHEMBL28756 | 0.95 | — | — | |
| SCHEMBL9017549 | 0.92 | — | — | |
| Charcoal, Activated SCHEMBL10763313 | 0.92 | — | — | |
| SCHEMBL28432541 | 0.92 | — | — | |
| SCHEMBL27713704 | 0.92 | — | — | |
| SCHEMBL29032357 | 0.92 | — | — | |
| Ethane SCHEMBL9471005 | 0.92 | GPR84 (0.62) | GPR84FFAR1CHRM1AKR1A1CHRM3 | |
| Methane SCHEMBL28876829 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2836833-A1 | PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 | Wayne State University (US) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013155456-A1 | PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 | WAYNE STATE UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |