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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 SCHEMBL28432362 | 1.00 | FFAR3 (0.41) | FFAR3LCKFYNSMN1; SMN2GAA | |
| Acetic Acid SCHEMBL28049850 | 0.89 | FFAR3 (0.37) | FFAR3LCKFYNSMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL177965 | 0.88 | ALDH1A1 (0.37) | ALDH1A1LMNATP53TSHR | |
| Methacrylic Acid SCHEMBL3207379 | 0.85 | POLB (0.33) | SMN1; SMN2GAA | |
| Bicarbonate SCHEMBL968689 | 0.82 | ALDH1A1 (0.33) | ALDH1A1LMNATP53TSHR | |
| SCHEMBL29048830 | 0.82 | ALDH1A1 (0.33) | ALDH1A1LMNATP53TSHR | |
| Carbamic Acid SCHEMBL5450548 | 0.82 | ACHE (0.41) | ALDH1A1LMNATP53TSHR | |
| SCHEMBL27938181 | 0.81 | ALDH1A1 (0.36) | SMN1; SMN2ALDH1A1LMNATSHRKDM4E | |
| Butanone SCHEMBL28287847 | 0.81 | ALDH1A1 (0.50) | FFAR3SMN1; SMN2GAAALDH1A1KDM4E | |
| Ethane SCHEMBL28226466 | 0.81 | — | — |
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-107011033-A | Sweet potato and potato special fertiliser granulates agent and preparation method and application containing sustained-release pesticides | 河北德瑞化工有限公司 | 2017-08-04 | — | — | CN | claimed |
| CN-107011033-A | Sweet potato and potato special fertiliser granulates agent and preparation method and application containing sustained-release pesticides | 河北德瑞化工有限公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-106986715-A | Wheat and corn special fertiliser granulates agent and its preparation method and application containing sustained-release pesticides | 河北德瑞化工有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-106916019-A | Tobacco special fertiliser granulates agent and its preparation method and application containing sustained-release pesticides | 河北德瑞化工有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-105968249-A | Interpenetrating polymer network modified white emulsion and preparation method thereof | 武汉工程大学 | 2016-09-28 | — | — | CN | disclosed |