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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.54 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 2/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
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 SCHEMBL29007023 | 1.00 | TAAR1 (0.57) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| SCHEMBL39655 | 0.88 | TAAR1 (0.71) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| SCHEMBL29463258 | 0.88 | TAAR1 (0.71) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Acetic Acid SCHEMBL3077099 | 0.86 | ACP3 (0.56) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Ethylamine SCHEMBL4238530 | 0.86 | TAAR1 (0.65) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Iodide SCHEMBL11221836 | 0.86 | TAAR1 (0.69) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Bromide SCHEMBL31513704 | 0.86 | TAAR1 (0.69) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Hydrochloric Acid SCHEMBL11220775 | 0.86 | TAAR1 (0.69) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Bromide SCHEMBL11233006 | 0.86 | TAAR1 (0.69) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| Hydrochloric Acid SCHEMBL26616857 | 0.86 | TAAR1 (0.69) | TAAR1HTR2AHTR2CHTR2BMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-116327950-A | Use of a composition for the treatment of neuropsychiatric symptoms of neurodegenerative diseases | 阿泽范药品公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-116139282-A | Compositions and methods for treating neurodegenerative diseases | 阿泽范药品公司 | 2023-05-23 | — | — | CN | disclosed |