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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2108732 | 0.97 | LMNA (0.72) | LMNACYP3A4KDM4EMAPTHTT | |
| Acetic Acid SCHEMBL7902877 | 0.90 | LMNA (0.77) | LMNACYP3A4KDM4EMAPTHTT | |
| Acetic Acid SCHEMBL9177085 | 0.90 | LMNA (0.77) | LMNACYP3A4KDM4EMAPTHTT | |
| Acetic Acid SCHEMBL7908727 | 0.89 | LMNA (0.74) | LMNACYP3A4KDM4EMAPTHTT | |
| SCHEMBL28527433 | 0.87 | LMNA (0.89) | LMNACYP3A4KDM4EMAPTHTT | |
| Methyl Alcohol SCHEMBL27642901 | 0.87 | LMNA (0.89) | LMNACYP3A4KDM4EMAPTHTT | |
| Methyl Alcohol SCHEMBL27878296 | 0.85 | LMNA (0.85) | LMNACYP3A4KDM4EMAPTHTT | |
| SCHEMBL28409497 | 0.85 | LMNA (0.68) | LMNACYP3A4KDM4EMAPTHTT | |
| SCHEMBL28926538 | 0.85 | LMNA (0.68) | LMNACYP3A4KDM4EMAPTHTT | |
| Phosphoric Acid SCHEMBL28535198 | 0.85 | LMNA (0.68) | LMNACYP3A4KDM4EMAPTHTT |
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-104792780-A | Method for measuring permanganate index with phenanthroline-ferrous ion color development method and application | BEIJING LIANHUAYONGXING SCIENCE AND TECHNOLOGY DEV CO LTD | 2015-07-22 | — | — | CN | disclosed |