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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27512597 | 0.91 | FFAR3 (0.50) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| SCHEMBL14359 | 0.91 | — | — | |
| SCHEMBL34552 | 0.91 | — | — | |
| SCHEMBL1164653 | 0.91 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| SCHEMBL2167689 | 0.91 | — | — | |
| Fumaric Acid SCHEMBL9170981 | 0.91 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| SCHEMBL28092825 | 0.91 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL4304790 | 0.91 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| SCHEMBL27990868 | 0.89 | TSHR (0.47) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| SCHEMBL3442855 | 0.88 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109554170-A | A kind of anticalcium high temperature resistant drilling fluids fluid loss additive and preparation method thereof | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-109554170-A | A kind of anticalcium high temperature resistant drilling fluids fluid loss additive and preparation method thereof | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-1266478-C | Reagent box for testing acute coronary artery complex by insulin growth factor combing protein-4 hydrolase | MA XU (CN) | 2006-07-26 | — | — | CN | disclosed |
| CN-1553194-A | Reagent box for testing acute coronary artery complex by insulin growth factor combing protein-4 hydrolase | 马 旭 | 2004-12-08 | — | — | CN | disclosed |
| CN-1553190-A | Four mucin enzyme linked immunosorbent assay reagent box for early diagnosing oophoroma | 马 旭 | 2004-12-08 | — | — | CN | disclosed |