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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3262446 | 0.89 | MPO (0.57) | AKR1B1MPOHIF1ACYP2D6TSHR | |
| Acetic Acid SCHEMBL27895243 | 0.77 | AKR1B1 (0.61) | AKR1B1HIF1ACYP2D6TSHRHSPA5 | |
| Salicyl Alcohol SCHEMBL4149772 | 0.75 | AKR1B1 (0.59) | AKR1B1HIF1ACYP2D6TSHRKDM4E | |
| 2-(Aminomethyl)Phenol SCHEMBL22265890 | 0.73 | AKR1B1 (0.57) | AKR1B1HIF1ACYP2D6TSHRKDM4E | |
| Acetic Acid SCHEMBL27986653 | 0.73 | AKR1B1 (0.57) | AKR1B1HIF1ACYP2D6TSHRKDM4E | |
| Acetic Acid SCHEMBL10380814 | 0.73 | CA12 (0.78) | MPOHIF1ACYP2D6TSHRKDM4E | |
| Acetic Acid SCHEMBL9081320 | 0.72 | KEAP1 (0.62) | AKR1B1HIF1AHSPA5MEN1KMT2A | |
| Catechol SCHEMBL8411371 | 0.71 | CA2 (0.62) | AKR1B1HIF1ATSHRKDM4EALDH1A1 | |
| Catechol SCHEMBL2707627 | 0.71 | CA2 (0.62) | AKR1B1HIF1ATSHRKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL11025512 | 0.70 | GABRA1 (0.53) | AKR1B1HIF1ACYP2D6TSHRHSPA5 |
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 |