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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | G6PD | P11413 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
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 SCHEMBL2453698 | 1.00 | KDM4E (0.53) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2456414 | 0.95 | KDM4E (0.56) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2456411 | 0.95 | KDM4E (0.56) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL8827775 | 0.95 | KDM4E (0.61) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL8827779 | 0.95 | KDM4E (0.61) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Pivalate SCHEMBL10660822 | 0.93 | KDM4E (0.50) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Heptanoate SCHEMBL2456920 | 0.86 | KDM4E (0.45) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9727221 | 0.83 | KDM4E (0.46) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2453702 | 0.83 | ACHE (0.49) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2453700 | 0.83 | ACHE (0.49) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011146819-A2 | METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES | DMD THERAPIES, LLC (US) | 2011-11-24 | — | — | WO | disclosed |