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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL8974942 | 0.96 | TDP1 (0.46) | TDP1ATMMAPTPOLBALDH1A1 | |
| SCHEMBL29448528 | 0.94 | MAPT (0.44) | TDP1ATMMAPTPOLBALDH1A1 | |
| SCHEMBL14976 | 0.94 | MAPT (0.44) | TDP1ATMMAPTPOLBALDH1A1 | |
| SCHEMBL30949796 | 0.93 | MAPT (0.43) | TDP1ATMMAPTPOLBALDH1A1 | |
| Pivalate SCHEMBL28089548 | 0.91 | TDP1 (0.43) | TDP1ATMMAPTPOLBALDH1A1 | |
| Benzoic Acid SCHEMBL27514337 | 0.88 | RXRA (0.51) | TDP1ATMMAPTPOLBALDH1A1 | |
| SCHEMBL9021105 | 0.88 | ALDH1A1 (0.43) | TDP1ATMMAPTPOLBALDH1A1 | |
| Benzoyl Peroxide SCHEMBL11074559 | 0.87 | LMNA (0.53) | TDP1ATMMAPTPOLBALDH1A1 | |
| SCHEMBL9015025 | 0.85 | MAPK1 (0.52) | TDP1ATMMAPTPOLBALDH1A1 | |
| SCHEMBL21874832 | 0.84 | ALDH1A1 (0.45) | TDP1ATMMAPTPOLBALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107602458-A | A kind of preparation method of cyclenes alkenyl position Acetoxylation | 重庆大学 | 2018-01-19 | — | — | CN | claimed |
| CN-103452996-B | A kind of assembling method of mechanical part | NINGBO JIANGFENG ELECTRONIC MATERIAL CO., LTD. (CN) | 2015-12-16 | — | — | CN | disclosed |