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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY1R | P25929 | 13/20 | 0.51 |
| ▸ | NPY4R | P50391 | 9/20 | 0.51 |
| ▸ | NPY5R | Q15761 | 9/20 | 0.51 |
| ▸ | NPY2R | P49146 | 5/20 | 0.51 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.48 |
| ▸ | CHRNG | P07510 | 2/20 | 0.48 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.48 |
| ▸ | CHRND | Q07001 | 2/20 | 0.48 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.46 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.46 |
| ▸ | GRIA1 | P42261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8525686 | 0.96 | NPY1R (0.52) | NPY1RNPY4RNPY5RNPY2RCHRNA1 | |
| SCHEMBL4650743 | 0.91 | NPY1R (0.61) | NPY1RNPY4RNPY5RNPY2RCHRNA1 | |
| SCHEMBL7751922 | 0.84 | NPY1R (0.49) | NPY1RNPY4RNPY5RNPY2RNPFFR1 | |
| SCHEMBL7036808 | 0.83 | NPY1R (0.61) | NPY1RNPY4RNPY5RNPFFR1NPFFR2 | |
| Acetic Acid SCHEMBL8586584 | 0.81 | KMT2A (0.48) | NPY1RNPY4RNPY5R | |
| SCHEMBL16181256 | 0.80 | NPY1R (0.58) | NPY1RCHRNA1CHRNGCHRNB1CHRND | |
| SCHEMBL8112493 | 0.80 | TRPV1 (0.57) | NPY1RNPY4RNPY5RNPY2RNPFFR1 | |
| SCHEMBL8528689 | 0.80 | NPY1R (0.46) | NPY1RNPY4RNPY5RNPY2R | |
| SCHEMBL8113561 | 0.80 | NPY1R (0.56) | NPY1RNPY4RNPY5RNPY2RNPFFR1 | |
| SCHEMBL8119423 | 0.79 | NPY1R (0.58) | NPY1RNPY4RNPY5RNPY2RNPFFR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |