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 | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.50 |
| ▸ | CTH | P32929 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 3/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL65636 | 0.95 | EGLN1 (0.54) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL18139583 | 0.93 | EGLN1 (0.52) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| SCHEMBL11139095 | 0.87 | EGLN1 (0.47) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| SCHEMBL366720 | 0.87 | EGLN1 (0.47) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| Acetic Acid SCHEMBL8397576 | 0.86 | TGFBR1 (0.47) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| SCHEMBL10594427 | 0.82 | EGLN1 (0.52) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| SCHEMBL366331 | 0.81 | TGFBR1 (0.42) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| SCHEMBL28746142 | 0.81 | EGLN1 (0.41) | EGLN1CTHPLA2G2ATGFBR1ALDH1A1 | |
| SCHEMBL27050 | 0.80 | — | — | |
| SCHEMBL78125 | 0.78 | TGFBR1 (0.39) | EGLN1TGFBR1ALDH1A1TDP1LMNA |
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-108003287-B | Preparation method of protein affinity imprinted hydrogel polymer based on acrylamide metal chelating monomer | 南京百赛生物色谱技术有限公司 | 2020-08-18 | — | — | CN | claimed |