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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.44 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28542896 | 0.93 | HTR2B (0.51) | TDP1TSHRHTR2BHTR2AHTR2C | |
| Acetic Acid SCHEMBL28548169 | 0.90 | HTR2B (0.45) | TDP1TSHRHTR2BHTR2AHTR2C | |
| SCHEMBL1332580 | 0.82 | TDP1 (0.70) | TDP1TSHRMAPTPTGDR2PTGDR | |
| SCHEMBL16427018 | 0.80 | HTR2B (0.48) | TDP1TSHRHTR2BHTR2AHTR2C | |
| SCHEMBL220452 | 0.78 | NPC1 (0.59) | TDP1TSHRHTR2BHTR2AHTR2C | |
| SCHEMBL22591956 | 0.77 | TDP1 (0.62) | TDP1TSHRHTR2BHTR2AHTR2C | |
| SCHEMBL12035517 | 0.74 | RAB9A (0.49) | TDP1TSHRHTR2BHTR2AHTR2C | |
| SCHEMBL22695293 | 0.74 | HTR2B (0.46) | TDP1TSHRHTR2BHTR2AHTR2C | |
| SCHEMBL3023191 | 0.74 | MGLL (0.49) | TSHRMAPTKMT2A | |
| SCHEMBL9192117 | 0.74 | HTR2B (0.49) | TDP1TSHRHTR2BHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047176-B | Synthesis method of dihydrobenzofuran compound with chiral quaternary carbon center | 常州合全药业有限公司 | 2021-04-20 | — | — | CN | disclosed |