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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11300896 | 0.93 | ALDH1A1 (0.35) | LMNATP53TSHRSMN1; SMN2ALDH1A1 | |
| Carbamic Acid SCHEMBL28288899 | 0.89 | ALDH1A1 (0.34) | LMNATP53TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL24129 | 0.85 | — | — | |
| SCHEMBL8462325 | 0.85 | — | — | |
| SCHEMBL8462349 | 0.85 | — | — | |
| Formaldehyde SCHEMBL28052187 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL15659129 | 0.83 | — | — | |
| Benzoic Acid SCHEMBL472157 | 0.79 | TSHR (0.48) | TP53TSHRALDH1A1KDM4EGAA | |
| Cyclohexene SCHEMBL11226894 | 0.78 | ALDH1A1 (0.36) | ALDH1A1ALOX15 | |
| SCHEMBL2044104 | 0.77 | ALDH1A1 (0.32) | ALDH1A1ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108586178-A | The manufacturing method of nitrile and its corresponding amine | 中国石油化工股份有限公司 | 2018-09-28 | — | — | CN | claimed |
| CN-104557610-B | Process for the manufacture of nitriles and their corresponding amines | 中国石油化工股份有限公司 | 2018-04-27 | — | — | CN | claimed |
| CN-108586178-A | The manufacturing method of nitrile and its corresponding amine | 中国石油化工股份有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-104557610-B | Process for the manufacture of nitriles and their corresponding amines | 中国石油化工股份有限公司 | 2018-04-27 | — | — | CN | disclosed |