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 | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | NPY4R | P50391 | 5/20 | 0.38 |
| ▸ | NPY1R | P25929 | 4/20 | 0.37 |
| ▸ | NPY2R | P49146 | 3/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | GLP1R | P43220 | 3/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5522251 | 0.92 | NOD1 (0.42) | C3AR1CTSLCTSSNPY4RNOD1 | |
| Acetic Acid SCHEMBL6373661 | 0.81 | PDF (0.48) | SIRT2SIRT1SIRT3 | |
| SCHEMBL8209135 | 0.81 | TGM2 (0.39) | C3AR1CTSLCTSSNPY4RNPY1R | |
| SCHEMBL30481170 | 0.81 | NOD1 (0.43) | NOD1SIRT1GLP1R | |
| SCHEMBL30481161 | 0.81 | NOD1 (0.43) | NOD1SIRT1GLP1R | |
| SCHEMBL12292041 | 0.78 | C3AR1 (0.41) | C3AR1NPY4RNPY1RNPY2RNPY5R | |
| SCHEMBL18440712 | 0.77 | CPB1 (0.52) | CTSLCTSSFOLH1SIRT2SIRT1 | |
| SCHEMBL19975767 | 0.77 | SIRT6 (0.48) | C3AR1NPY4RNPY1RNPY2RNPY5R | |
| SCHEMBL30892327 | 0.76 | NOD1 (0.55) | NPY4RNPY1RNPY2RNPY5RNOD1 | |
| 4-Nitroaniline SCHEMBL17870565 | 0.76 | TGM2 (0.40) | C3AR1NPY4RTGM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5190862-A | Peptide modified compound | BOEHRINGER MANNHEIM GMBH (DE) | 1993-03-02 | — | — | US | disclosed |
| US-5108890-A | Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials | BOEHRINGER MANNHEIM GMBH (DE) | 1992-04-28 | — | — | US | disclosed |