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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 5/20 | 0.36 |
| ▸ | NOS2 known ✓ | P35228 | 5/20 | 0.36 |
| ▸ | NOS3 known ✓ | P29474 | 4/20 | 0.36 |
| ▸ | NPY4R | P50391 | 5/20 | 0.42 |
| ▸ | NPY1R | P25929 | 3/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | OTC | P00480 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 2/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29129249 | 0.98 | NPY4R (0.43) | NPY4RNPY1RDPP7OTCNOS1 | |
| Hydrochloric Acid SCHEMBL2762373 | 0.95 | NPY4R (0.44) | NPY4RNPY1RDPP7OTCNOS1 | |
| Hydrochloric Acid SCHEMBL29027297 | 0.95 | NPY4R (0.44) | NPY4RNPY1RDPP7OTCNOS1 | |
| Hydrochloric Acid SCHEMBL940540 | 0.95 | NPY4R (0.44) | NPY4RNPY1RDPP7OTCNOS1 | |
| Hydrochloric Acid SCHEMBL866931 | 0.95 | NPY4R (0.44) | NPY4RNPY1RDPP7OTCNOS1 | |
| Hydrochloric Acid SCHEMBL940539 | 0.95 | NPY4R (0.44) | NPY4RNPY1RDPP7OTCNOS1 | |
| Hydrochloric Acid SCHEMBL14840576 | 0.95 | NPY4R (0.44) | NPY4RNPY1RDPP7OTCNOS1 | |
| SCHEMBL157856 | 0.94 | NPY4R (0.45) | NPY4RNPY1RDPP7OTCNOS1 | |
| SCHEMBL2172217 | 0.94 | NPY4R (0.45) | NPY4RNPY1RDPP7OTCNOS1 | |
| SCHEMBL42488 | 0.94 | NPY4R (0.45) | NPY4RNPY1RDPP7OTCNOS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117379444-B | Pharmaceutical composition containing zoledronic acid and capable of inhibiting side reaction and application thereof | 重庆医科大学 | 2024-08-13 | — | — | CN | disclosed |
| CN-117379444-A | Pharmaceutical composition containing zoledronic acid and capable of inhibiting side reaction and application thereof | 重庆医科大学 | 2024-01-12 | — | — | CN | disclosed |