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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7505537 | 0.96 | KDM4E (0.48) | KDM4ESMN1; SMN2LMNAGAAEGLN1 | |
| SCHEMBL3420317 | 0.87 | AKR1B1 (0.42) | KDM4ESMN1; SMN2LMNAGAAEGLN1 | |
| SCHEMBL8964979 | 0.79 | KDM4E (0.50) | KDM4ESMN1; SMN2GAAEGLN1NPSR1 | |
| SCHEMBL7499654 | 0.77 | SMN1; SMN2 (0.42) | KDM4ESMN1; SMN2LMNAGAAEGLN1 | |
| SCHEMBL8706883 | 0.76 | GAA (0.51) | KDM4ESMN1; SMN2LMNAGAAAKR1B1 | |
| SCHEMBL8804250 | 0.75 | AGBL2 (0.36) | KDM4ESMN1; SMN2LMNAGAAAKR1B1 | |
| SCHEMBL24800378 | 0.73 | NPSR1 (0.41) | KDM4ESMN1; SMN2GAAEGLN1AKR1B1 | |
| SCHEMBL11154118 | 0.71 | SMN1; SMN2 (0.56) | KDM4ESMN1; SMN2LMNAGAAEGLN1 | |
| SCHEMBL8801133 | 0.70 | PDE4B (0.45) | KDM4ESMN1; SMN2GAAAKR1B1PTGDR2 | |
| SCHEMBL11241934 | 0.70 | AKR1B1 (0.45) | KDM4ESMN1; SMN2LMNAGAAAKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0539086-B1 | Condensed pyrimidine derivatives and their use as angiotensine II antagonists | AMERICAN HOME PROD (US) | 1997-12-29 | — | — | EP | disclosed |