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 | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PRNP | P04156 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL570484 | 0.87 | CYP1A2 (0.68) | RXFP1CYP1A2EPHX1PKMLMNA | |
| SCHEMBL31307958 | 0.87 | CYP1A2 (0.68) | RXFP1CYP1A2EPHX1PKMLMNA | |
| SCHEMBL3743600 | 0.81 | CYP1A2 (0.59) | RXFP1CYP1A2EPHX1PKMLMNA | |
| SCHEMBL29583066 | 0.73 | RXFP1 (0.55) | RXFP1EPHX1PKMPRNPLMNA | |
| SCHEMBL3113843 | 0.73 | RXFP1 (0.55) | RXFP1EPHX1PKMPRNPLMNA | |
| Acetic Acid SCHEMBL27521004 | 0.73 | NR4A1 (0.50) | RXFP1CYP1A2PRNPMEN1KMT2A | |
| SCHEMBL7836756 | 0.73 | CYP1A2 (0.68) | CYP1A2PRNPMEN1KMT2ACYP2A6 | |
| SCHEMBL30547318 | 0.73 | CYP1A2 (0.68) | CYP1A2PRNPMEN1KMT2ACYP2A6 | |
| Acetic Acid SCHEMBL27591824 | 0.73 | AKR1C3 (0.52) | RXFP1LMNAMEN1KMT2AALDH1A1 | |
| Triphenylene SCHEMBL27947419 | 0.72 | CES2 (0.50) | CYP1A2MEN1KMT2AALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613942-B1 | Nonpeptide; 4-hydroxy benzoic acid hydrazides | NOVO NORDISK A/S (DK) | 2003-09-02 | — | — | US | disclosed |
| EP-0994848-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999001423-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 1999-01-14 | — | — | WO | disclosed |