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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 2/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 SCHEMBL38324 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL7281476 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL902253 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL11661625 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL11599396 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL11222752 | 0.94 | ALDH1A1 (0.54) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL27535761 | 0.94 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL27540812 | 0.94 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL11520158 | 0.93 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL11434031 | 0.92 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8278072-B1 | Method for synthesis of sialylated products using reversible sialylation | HEALTH RESEARCH, INC. (US) | 2012-10-02 | — | — | US | disclosed |
| WO-2001090309-A9 | PEPTIDES THAT STIMULATE MYCOBACTERIAL GROWTH | UNIV COLORADO STATE RES FOUND (US) | 2002-12-12 | — | — | WO | disclosed |
| WO-2001090309-A2 | PEPTIDES THAT STIMULATE MYCOBACTERIAL GROWTH | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2001-11-29 | — | — | WO | disclosed |
| US-5340802-A | Central nervous system disorders | ABBOTT LABORATORIES (US) | 1994-08-23 | — | — | US | disclosed |
| EP-0449884-A4 | DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS | — | 1991-10-30 | — | — | EP | disclosed |
| EP-0449884-A1 | DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS | ABBOTT LABORATORIES (US) | 1991-10-09 | — | — | EP | disclosed |
| EP-0405506-A1 | Tetrapeptide type-B CCK receptor ligands | ABBOTT LABORATORIES (US) | 1991-01-02 | — | — | EP | disclosed |
| US-4431635-A | PEPTIDE ANALOGS OF LUTEINIZING HORMONE RELEASING HORMONE; GLANDULAR DISORDERS; ANTICARCINOGENIC AGENTS | COY DAVID HOWARD | 1984-02-14 | — | — | US | disclosed |
| US-4314998-A | 6-Deoxyglucosamine-peptide derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-02-09 | — | — | US | disclosed |