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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.48 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 SCHEMBL28065462 | 0.89 | MAOB (0.59) | MAOBLOXL2TAAR1SMN1; SMN2HTT | |
| Bicarbonate SCHEMBL25353301 | 0.86 | MAOB (0.61) | MAOBLOXL2TAAR1SMN1; SMN2HTT | |
| Methyl Alcohol SCHEMBL28283803 | 0.84 | MAOB (0.68) | MAOBLOXL2TAAR1CA1CA2 | |
| SCHEMBL4951818 | 0.84 | MAOB (0.73) | MAOBTAAR1SMN1; SMN2CA1CA2 | |
| SCHEMBL8755 | 0.84 | MAOB (0.73) | MAOBTAAR1SMN1; SMN2CA1CA2 | |
| Hypochlorous Acid SCHEMBL10950049 | 0.82 | MAOB (0.66) | MAOBLOXL2TAAR1CA1CA2 | |
| Iodide SCHEMBL28780684 | 0.82 | MAOB (0.70) | MAOBTAAR1SMN1; SMN2CA1CA2 | |
| Hydrochloric Acid SCHEMBL1715149 | 0.82 | MAOB (0.77) | MAOBTAAR1CA1CA2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL9173570 | 0.82 | MAOB (0.70) | MAOBTAAR1SMN1; SMN2CA1CA2 | |
| Bromide SCHEMBL31513712 | 0.82 | MAOB (0.70) | MAOBTAAR1SMN1; SMN2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689641-A | A kind of substituted 2- hydrogen-pyrazole derivatives crystal form, salt form and preparation method thereof | 正大天晴药业集团股份有限公司 | 2019-04-26 | — | — | CN | disclosed |