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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EPHA2 | P29317 | 4/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL555079 | 0.96 | USP2 (0.51) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL554849 | 0.96 | USP2 (0.51) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL60605 | 0.96 | USP2 (0.51) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| Hydrochloric Acid SCHEMBL31601582 | 0.94 | USP2 (0.50) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL8004062 | 0.88 | MAPT (0.48) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL13779825 | 0.88 | MAPT (0.48) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL15107826 | 0.88 | MAPT (0.48) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL31055703 | 0.85 | PDK1 (0.43) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL19439155 | 0.85 | USP2 (0.49) | USP2SMN1; SMN2RECQLPDK1NR1H2 | |
| SCHEMBL19448345 | 0.85 | USP2 (0.49) | USP2SMN1; SMN2RECQLPDK1NR1H2 |
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-118772144-A | Synthesis method of pyrido [3,4-b ] pyrazine-5-amine compound | 和记黄埔医药（上海）有限公司 | 2024-10-15 | — | — | CN | disclosed |
| CN-118580218-A | Synthesis method of intermediate for synthesizing pyrido [3,4-b ] pyrazines | 和记黄埔医药（上海）有限公司 | 2024-09-03 | — | — | CN | disclosed |