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 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.57 |
| ▸ | MMP13 | P45452 | 1/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10897486 | 0.93 | MMP12 (0.53) | MMP12MMP13SRD5A2GPR84CYP1A2 | |
| SCHEMBL10898663 | 0.82 | MMP12 (0.49) | MMP12MMP13SRD5A2GPR84CYP1A2 | |
| SCHEMBL5613437 | 0.82 | MMP12 (0.82) | MMP12MMP13SRD5A2GPR84MMP2 | |
| SCHEMBL10898501 | 0.80 | HTR2C (0.54) | MMP12MMP13SRD5A2GPR84CYP1A2 | |
| SCHEMBL22310130 | 0.80 | TSHR (0.54) | MMP12MMP13SRD5A2GPR84CYP1A2 | |
| Acetic Acid SCHEMBL10898690 | 0.80 | ALDH1A1 (0.51) | CYP1A2MAOAALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL10896717 | 0.79 | TYR (0.47) | MMP12MMP13GPR84CYP1A2ADRA2A | |
| SCHEMBL10897544 | 0.79 | KCNH2 (0.44) | MMP12MMP13GPR84CYP1A2HTR2C | |
| SCHEMBL27426495 | 0.79 | SRD5A2 (0.57) | MMP12MMP13SRD5A2GPR84CYP1A2 | |
| SCHEMBL3149504 | 0.78 | MMP12 (0.56) | MMP12MMP13SRD5A2GPR84CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4581377-A | ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS | NIPPON SHINYAKU CO., LTD. (JP) | 1986-04-08 | — | — | US | disclosed |