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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30410319 | 0.83 | HTR2A (0.52) | POLBHTR7HTR2BHDAC3HDAC4 | |
| SCHEMBL353865 | 0.83 | HTR2A (0.52) | POLBHTR7HTR2BHDAC3HDAC4 | |
| SCHEMBL29444048 | 0.83 | HTR2A (0.52) | POLBHTR7HTR2BHDAC3HDAC4 | |
| Trifluoroacetic Acid SCHEMBL8895987 | 0.82 | HTR7 (0.46) | POLBHTR7HTR2BHDAC3HDAC4 | |
| Water SCHEMBL28455469 | 0.81 | HTR2A (0.50) | POLBHTR7HTR2BHDAC3HDAC4 | |
| Bromide SCHEMBL4922157 | 0.81 | HTR2A (0.50) | POLBHTR7HTR2BHDAC3HDAC4 | |
| SCHEMBL22270015 | 0.81 | HTR2A (0.50) | POLBHTR7HTR2BHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL355946 | 0.81 | HTR2A (0.50) | POLBHTR7HTR2BHDAC3HDAC4 | |
| Biphenyl SCHEMBL21382703 | 0.79 | ALDH1A1 (0.45) | HTR7HTR2BHTR2AGPR3 | |
| Dimethylamine SCHEMBL28473737 | 0.79 | HTR2A (0.44) | POLBHTR7HTR2BHDAC3HDAC4 |
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-101880246-A | Substituted benzoyl urea compound and preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2010-11-10 | — | — | CN | claimed |