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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 SCHEMBL27712913 | 0.92 | KCNN4 (0.56) | KCNN4CES2MPOMTORMEN1 | |
| Chloromethane SCHEMBL27654435 | 0.86 | TSHR (0.52) | KCNN4CES2MTORMGLLMAOB | |
| SCHEMBL29635721 | 0.85 | TSHR (0.56) | KCNN4CES2MPOMTORMEN1 | |
| SCHEMBL168760 | 0.85 | TSHR (0.56) | KCNN4CES2MPOMTORMEN1 | |
| Formaldehyde SCHEMBL28200835 | 0.84 | KCNN4 (0.52) | KCNN4CES2MPOMTORMEN1 | |
| Methylamine SCHEMBL27877639 | 0.84 | TSHR (0.56) | KCNN4CES2MGLL | |
| Bromomethane SCHEMBL27825377 | 0.84 | TSHR (0.50) | KCNN4CES2MTORMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28030628 | 0.83 | TSHR (0.54) | KCNN4CES2MTORMEN1KMT2A | |
| Water SCHEMBL28262645 | 0.83 | TSHR (0.54) | KCNN4CES2MPOMTORMEN1 | |
| SCHEMBL28476434 | 0.83 | CA1 (0.53) | KCNN4CES2MPOMTORMAPT |
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-104447183-B | The preparation method of 2-bromo-5-fluorobenzotrifluoride | 联化科技(盐城)有限公司 | 2016-08-17 | — | — | CN | disclosed |