Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethyl Acetate. 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 | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL27263183 | 0.99 | CDC7 (0.45) | CDC7DBF4DHODHLMNACTSA | |
| Ethyl Acetate SCHEMBL27447758 | 0.97 | CDC7 (0.44) | CDC7DBF4DHODHLMNACTSA | |
| Toluene SCHEMBL28297068 | 0.94 | CDC7 (0.45) | CDC7DBF4DHODHLMNACTSA | |
| Acetic Acid SCHEMBL27690930 | 0.88 | DHODH (0.49) | DHODHLMNACTSAALDH1A1SMN1; SMN2 | |
| Acetic Acid Propyl Ester SCHEMBL27803486 | 0.87 | LMNA (0.43) | CDC7DBF4DHODHLMNACTSA | |
| Acetic Acid SCHEMBL27614844 | 0.86 | CYP2A6 (0.54) | DHODHLMNACTSASMN1; SMN2HPGD | |
| Propionic Acid SCHEMBL27657150 | 0.85 | DHODH (0.47) | DHODHLMNACTSAALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL28163149 | 0.85 | DHODH (0.49) | DHODHLMNACTSAALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL28219393 | 0.85 | CYP2A6 (0.52) | DHODHLMNACTSASMN1; SMN2HPGD | |
| Acetic Acid SCHEMBL27942328 | 0.85 | DHODH (0.55) | DHODHLMNACTSASMN1; SMN2HPGD |
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-103772330-B | Method for recovery of furfural and acetic acid from furfural stripping steam condensate | CHINA PETROLEUM & CHEMICAL | 2015-06-17 | — | — | CN | disclosed |
| CN-103772330-A | Method for recovery of furfural and acetic acid from furfural stripping steam condensate | CHINA PETROLEUM & CHEMICAL | 2014-05-07 | — | — | CN | disclosed |
| CN-101675942-A | Honghuoma extract and its preparation method and application | UNIV HUAZHONG SCIENCE TECH | 2010-03-24 | — | — | CN | disclosed |