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 | |
|---|---|---|---|---|
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.41 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.92 |
| ▸ | TSHR | P16473 | 4/20 | 0.92 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.92 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.92 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | F2 | P00734 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 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 SCHEMBL29071816 | 0.96 | TSHR (1.00) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| Benzene SCHEMBL9464161 | 0.96 | TSHR (1.00) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL22820 | 0.96 | TSHR (1.00) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL9183136 | 0.96 | TSHR (1.00) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| Ammonia Solution, Strong SCHEMBL27551383 | 0.94 | TDP1 (0.96) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL27627330 | 0.94 | TDP1 (0.96) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL11143628 | 0.94 | TDP1 (0.96) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| Methyl Alcohol SCHEMBL28396775 | 0.94 | TDP1 (0.96) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL28771784 | 0.94 | TDP1 (0.96) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL28326817 | 0.94 | TDP1 (0.96) | TDP1TSHRALDH1A1HSD17B10LMNA |
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 |