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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | EYA2 | O00167 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 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 SCHEMBL11511846 | 1.00 | FFAR3 (0.44) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL5571119 | 0.88 | CA12 (0.44) | FFAR3LCKFYNPAOXCHRM2 | |
| Oxalic Acid SCHEMBL28576882 | 0.88 | TDP1 (0.43) | FFAR3TDP1EYA2APPACE | |
| Acetic Acid SCHEMBL28289424 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL28549045 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL22152 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL16244302 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL28664565 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL31218573 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 | |
| Acetic Acid SCHEMBL19356582 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNTDP1EYA2 |
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-6361940-B1 | IMMOBILIZATION; GENETIC ENGINEERING | QIAGEN GENOMICS, INC. | 2002-03-26 | — | — | US | disclosed |
| EP-0952228-A2 | Compositions and methods for enhancing hybridization specificity | Rapigene, Inc. (US) | 1999-10-27 | — | — | EP | disclosed |