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 | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | CKS1B | P61024 | 3/20 | 0.41 |
| ▸ | SKP1 | P63208 | 3/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | USP7 | Q93009 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1821593 | 0.89 | ADORA1 (0.44) | ADORA2AADORA1CKS1BSKP1SKP2 | |
| Nitric Acid SCHEMBL28587550 | 0.83 | TAAR1 (0.44) | ADORA2AADORA1MEN1KMT2ARAB9A | |
| SCHEMBL10205842 | 0.78 | USP7 (0.45) | ADORA2AADORA1CKS1BSKP1SKP2 | |
| SCHEMBL4339461 | 0.74 | ADORA1 (0.40) | ADORA2AADORA1CKS1BSKP1SKP2 | |
| SCHEMBL10381958 | 0.74 | ADORA1 (0.40) | ADORA2AADORA1CKS1BSKP1SKP2 | |
| SCHEMBL29263099 | 0.74 | TGFBR1 (0.49) | ADORA2AADORA1LMNANPC1RAB9A | |
| SCHEMBL10205854 | 0.73 | MEN1 (0.50) | ADORA2AADORA1USP7MEN1KMT2A | |
| SCHEMBL10205837 | 0.73 | NFKB1 (0.46) | CKS1BSKP1SKP2MEN1KMT2A | |
| Acetic Acid SCHEMBL31401913 | 0.72 | HNF4A (0.53) | LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL28564337 | 0.72 | ADORA2A (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-116356145-A | Method for extracting technetium from nuclear fuel post-treatment waste liquid by extraction method | 中国原子能科学研究院 | 2023-06-30 | — | — | CN | disclosed |