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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | METAP2 | P50579 | 2/20 | 0.40 |
| ▸ | METAP1 | P53582 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3227309 | 0.91 | SLC6A4 (0.41) | PPARGPPARAMTNR1AMTNR1BLMNA | |
| SCHEMBL3229708 | 0.80 | LTA4H (0.44) | PPARGPPARAALDH1A1SLC7A5 | |
| SCHEMBL7538331 | 0.79 | CYP1A2 (0.44) | MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL3229715 | 0.79 | CSNK1E (0.45) | ALDH1A1LMNASMN1; SMN2SLC7A5 | |
| SCHEMBL3222538 | 0.77 | CSNK1E (0.47) | ALDH1A1LMNASMN1; SMN2SLC7A5 | |
| SCHEMBL10591586 | 0.77 | CSNK1E (0.47) | ALDH1A1LMNASMN1; SMN2SLC7A5 | |
| SCHEMBL3213449 | 0.77 | CSNK1E (0.47) | ALDH1A1LMNASMN1; SMN2SLC7A5 | |
| SCHEMBL7531134 | 0.76 | LTA4H (0.45) | PPARAALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL359202 | 0.76 | MTNR1A (0.51) | MTNR1AMTNR1BPOLBALDH1A1LMNA | |
| SCHEMBL5674229 | 0.76 | ALDH1A1 (0.43) | PPARGPPARAMTNR1AMTNR1BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4639468-A | Derivatives of glycinamide, their preparation and their use | CONTINENTAL PHARMA INC. (BE) | 1987-01-27 | — | — | US | disclosed |