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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL167127 | 0.91 | LMNA (0.52) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| SCHEMBL15709 | 0.91 | LMNA (0.52) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| Benzene SCHEMBL28097669 | 0.91 | LMNA (0.52) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| Acetic Acid Methyl Ester SCHEMBL28624474 | 0.90 | MTNR1A (0.53) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| Formaldehyde SCHEMBL1786777 | 0.89 | LMNA (0.47) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| SCHEMBL14880143 | 0.89 | LMNA (0.50) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL11909844 | 0.89 | LMNA (0.50) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| SCHEMBL21803703 | 0.89 | LMNA (0.50) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| SCHEMBL1086365 | 0.89 | LMNA (0.50) | MTNR1AMTNR1BGAACYP1A2CYP2C9 | |
| Water SCHEMBL30489926 | 0.89 | LMNA (0.50) | MTNR1AMTNR1BGAACYP1A2CYP2C9 |
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-1156410-A | Anti-stress, anti-injury and anti-aging medicine and production method thereof | RIGA D (RO) | 1997-08-06 | — | — | CN | claimed |
| CN-1156410-A | Anti-stress, anti-injury and anti-aging medicine and production method thereof | RIGA D (RO) | 1997-08-06 | — | — | CN | disclosed |