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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 2/20 | 0.35 |
| ▸ | PGK2 | P07205 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IGFBP3 | P17936 | 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 | |
|---|---|---|---|---|
| SCHEMBL28106244 | 0.94 | TAS1R3 (0.42) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL28643929 | 0.92 | TAS1R3 (0.41) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL28701742 | 0.92 | TAS1R3 (0.41) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL28693316 | 0.83 | MAPK8 (0.39) | TAS1R3TAS1R1TAS1R2HPGDKMT2A | |
| SCHEMBL15822585 | 0.81 | TAS1R3 (0.42) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL29131289 | 0.80 | TAS1R3 (0.39) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL15823830 | 0.79 | TAS1R3 (0.41) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL15823754 | 0.79 | TAS1R3 (0.41) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL11123471 | 0.79 | TAS1R3 (0.41) | TAS1R3TAS1R1TAS1R2KDM4EHPGD | |
| SCHEMBL3195966 | 0.79 | TAS1R3 (0.43) | TAS1R3TAS1R1TAS1R2KDM4EHPGD |
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-111760596-A | Method for preparing structured catalyst carrier by photocuring | 华东理工大学 | 2020-10-13 | — | — | CN | disclosed |