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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.58 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 SCHEMBL7748731 | 1.00 | PARP1 (0.58) | PARP1PARP2MAPTKDM4ELMNA | |
| SCHEMBL7743155 | 0.94 | PARP1 (0.64) | PARP1PARP2MAPTKDM4ELMNA | |
| SCHEMBL7743153 | 0.94 | PARP1 (0.64) | PARP1PARP2MAPTKDM4ELMNA | |
| SCHEMBL7748738 | 0.85 | PARP1 (0.54) | PARP1PARP2MAPTKDM4ELMNA | |
| Acetic Acid SCHEMBL916161 | 0.81 | KDM4E (0.66) | PARP1PARP2MAPTKDM4ELMNA | |
| Acetic Acid SCHEMBL916159 | 0.81 | KDM4E (0.66) | PARP1PARP2MAPTKDM4ELMNA | |
| Acetic Acid SCHEMBL917024 | 0.81 | HPGD (0.59) | MAPTKDM4ELMNASMN1; SMN2HPGD | |
| SCHEMBL5574505 | 0.81 | PARP1 (0.57) | PARP1PARP2MAPTKDM4ELMNA | |
| Acetic Acid SCHEMBL917026 | 0.81 | HPGD (0.59) | MAPTKDM4ELMNASMN1; SMN2HPGD | |
| SCHEMBL5574511 | 0.81 | PARP1 (0.57) | PARP1PARP2MAPTKDM4ELMNA |
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-2001025192-A1 | GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE | MELACURE THERAPEUTICS AB (SE) | 2001-04-12 | — | — | WO | disclosed |