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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.56 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | TERT | O14746 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL1880386 | 0.90 | TBXAS1 (0.50) | TBXAS1FDPSTERTTAAR1HTR1A | |
| SCHEMBL8974 | 0.88 | — | — | |
| Bromide SCHEMBL29194427 | 0.86 | — | — | |
| Water SCHEMBL28799938 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28824526 | 0.86 | — | — | |
| Acetic Acid SCHEMBL28994906 | 0.85 | TBXAS1 (0.56) | TBXAS1FDPSTERTTAAR1HTR1A | |
| Acrylic Acid SCHEMBL2447902 | 0.84 | TBXAS1 (0.51) | TBXAS1FDPSTERTTAAR1HTR1A | |
| Acetic Acid SCHEMBL28627407 | 0.82 | TBXAS1 (0.61) | TBXAS1FDPSTERTTAAR1HTR1A | |
| SCHEMBL27677136 | 0.81 | TBXAS1 (0.46) | TBXAS1FDPSTERTTAAR1HTR1A | |
| Acetic Acid SCHEMBL27984534 | 0.81 | TAAR1 (0.50) | TBXAS1FDPSTERTTAAR1HTR1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478513-A | The synthesis of N- methyl-N- hydroxyethyl imidazole acetate | 赵世芬 | 2017-03-08 | — | — | CN | claimed |
| CN-106478513-A | The synthesis of N- methyl-N- hydroxyethyl imidazole acetate | 赵世芬 | 2017-03-08 | — | — | CN | disclosed |
| CN-106478513-A | The synthesis of N- methyl-N- hydroxyethyl imidazole acetate | 赵世芬 | 2017-03-08 | — | — | CN | disclosed |
| CN-106478513-A | The synthesis of N- methyl-N- hydroxyethyl imidazole acetate | 赵世芬 | 2017-03-08 | — | — | CN | disclosed |