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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL938633 | 0.93 | ALDH1A1 (0.68) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL1470310 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL1470280 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL1469988 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL1470175 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL11416400 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL1469713 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| SCHEMBL1230517 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL29137469 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL775056 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TSHRTHRBHSD17B10LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109929204-A | A kind of preparation of antistatic high impact-resistant acrylonitritrile-styrene resin resin | 深圳市鹏达兴泰新材料有限公司 | 2019-06-25 | — | — | CN | claimed |
| CN-106632465-A | Synthetic method for (2-ethylhexyl)(2,4,4'-trimehtyl amyl) phosphinic acid | 北京科技大学 | 2017-05-10 | — | — | CN | claimed |
| CN-109929204-A | A kind of preparation of antistatic high impact-resistant acrylonitritrile-styrene resin resin | 深圳市鹏达兴泰新材料有限公司 | 2019-06-25 | — | — | CN | disclosed |