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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.38 |
| ▸ | IAPP | P10997 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL27883988 | 0.90 | HSPA5 (0.58) | HSPA5AKR1B1KEAP1IDH1DAO | |
| Acetic Acid SCHEMBL9081320 | 0.75 | KEAP1 (0.62) | HSPA5AKR1B1KEAP1HIF1A | |
| Acetic Acid SCHEMBL30330035 | 0.75 | TSHR (0.41) | KAT8TSHR | |
| SCHEMBL11289486 | 0.75 | MAPT (0.40) | CYP1A2KAT8CYP2D6TSHRHIF1A | |
| Acetic Acid SCHEMBL27895243 | 0.73 | AKR1B1 (0.61) | HSPA5AKR1B1IAPPCYP2D6TSHR | |
| SCHEMBL20117949 | 0.72 | TAAR1 (0.41) | DAO | |
| Salicyl Alcohol SCHEMBL4149772 | 0.71 | AKR1B1 (0.59) | HSPA5AKR1B1IAPPCYP2D6TSHR | |
| Methacrylic Acid SCHEMBL732426 | 0.70 | HSPA5 (0.61) | HSPA5AKR1B1KEAP1IDH1CYP1A2 | |
| Benzene SCHEMBL28241649 | 0.70 | MAOA (0.45) | DAOKAT8TSHRHDAC8HDAC6 | |
| 2-(Aminomethyl)Phenol SCHEMBL22265890 | 0.70 | AKR1B1 (0.57) | HSPA5AKR1B1IAPPCYP2D6TSHR |
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-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | disclosed |