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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.59 |
| ▸ | LDHA | P00338 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.50 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL25353301 | 0.94 | MAOB (0.61) | MAOBLDHASMN1; SMN2TAAR1LOXL2 | |
| Acetic Acid SCHEMBL28296174 | 0.89 | MAOB (0.56) | MAOBLDHASMN1; SMN2KDM4ETAAR1 | |
| Methyl Alcohol SCHEMBL28283803 | 0.87 | MAOB (0.68) | MAOBTAAR1LOXL2CA1CA2 | |
| SCHEMBL4951818 | 0.87 | MAOB (0.73) | MAOBSMN1; SMN2TAAR1CA1CA2 | |
| SCHEMBL8755 | 0.87 | MAOB (0.73) | MAOBSMN1; SMN2TAAR1CA1CA2 | |
| Pivalate SCHEMBL18797178 | 0.87 | MAOB (0.54) | MAOBLDHASMN1; SMN2TAAR1LOXL2 | |
| Aminomethylbenzoic Acid SCHEMBL5215159 | 0.87 | CA1 (0.71) | MAOBSMN1; SMN2KDM4ELOXL2CA1 | |
| Trifluoroacetic Acid SCHEMBL6317983 | 0.85 | LDHA (0.54) | MAOBLDHATAAR1LOXL2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL6220574 | 0.85 | LDHA (0.54) | MAOBLDHATAAR1LOXL2SLC6A4 | |
| Hypochlorous Acid SCHEMBL10950049 | 0.85 | MAOB (0.66) | MAOBTAAR1LOXL2CA1CA2 |
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-105483749-A | Method for electro-synthesizing 3-amido-2-thio-cyano-alpha, beta-unsaturated carbonyl compound in pairs | UNIV BEIJING TECHNOLOGY | 2016-04-13 | — | — | CN | disclosed |