Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 8/20 | 0.50 |
| ▸ | LMNA | P02545 | 8/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 SCHEMBL27528963 | 0.86 | KMT2A (0.40) | ALDH1A1LMNAKMT2AHSD17B10GAA | |
| Ethyl Acetate SCHEMBL4278294 | 0.86 | TSHR (0.57) | ALDH1A1LMNAKMT2AHSD17B10GAA | |
| P-Xylene SCHEMBL2536913 | 0.84 | ALDH1A1 (0.70) | ALDH1A1LMNAKMT2AHSD17B10GAA | |
| Ethyl Propionate SCHEMBL28248668 | 0.84 | CYP1A2 (0.51) | ALDH1A1LMNAKMT2AHSD17B10GAA | |
| Acetic Acid Methyl Ester SCHEMBL28854245 | 0.83 | MEN1 (0.51) | ALDH1A1LMNAKMT2AGAACYP1A2 | |
| Ether SCHEMBL1964593 | 0.83 | ALDH1A1 (0.47) | ALDH1A1LMNAKMT2AHSD17B10GAA | |
| SCHEMBL5178584 | 0.83 | LMNA (0.47) | ALDH1A1LMNAKMT2AGAACYP1A2 | |
| Acetone SCHEMBL4283217 | 0.82 | GAA (0.54) | ALDH1A1LMNAGAACYP1A2CYP2C9 | |
| Propane SCHEMBL28408609 | 0.82 | GAA (0.54) | ALDH1A1LMNAKMT2AGAACYP1A2 | |
| Propane SCHEMBL3563886 | 0.82 | GAA (0.54) | ALDH1A1LMNAKMT2AGAACYP1A2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117164481-A | Methyl (3-methylaminopropyl) carbamate derivatives of ZL006-05 and pharmaceutically acceptable salts thereof and pharmaceutical application thereof | 苏州南医大创新中心 | 2023-12-05 | — | — | CN | disclosed |
| WO-2023095785-A1 | PHOTOSENSITIVE RESIN COMPOSITION, CURED ARTICLE, ORGANIC EL DISPLAY DEVICE, SEMICONDUCTOR DEVICE, AND METHOD FOR PRODUCING CURED ARTICLE | 東レ株式会社 | 2023-06-01 | — | — | WO | disclosed |
| CN-103965194-B | Triazole antifungal compound, its pharmaceutical composition and its production and use | 中国科学院上海药物研究所 | 2016-08-17 | — | — | CN | disclosed |
| EP-1369418-B1 | QUINAZOLINE DERIVATIVES | MITSUBISHI TANABE PHARMA CORP (JP) | 2010-07-28 | — | — | EP | disclosed |
| US-20090137580-A1 | Fused Heterocyclic Derivatives and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1904498-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-04-02 | — | — | EP | disclosed |
| US-20070265260-A1 | Quinazoline derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-11-15 | — | — | US | disclosed |
| US-7294629-B2 | Quinazoline derivatives | MITSUBISHI PHARMA CORPORATION (JP) | 2007-11-13 | — | — | US | disclosed |
| US-7196199-B2 | Antiserotonine agents; antidepressants | MITSUBISHI PHARMA CORPORATION (JP) | 2007-03-27 | — | — | US | disclosed |
| WO-2007004749-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-11 | — | — | WO | disclosed |
| EP-1188747-B1 | PHENOXYPROPYLAMINE COMPOUNDS | MITSUBISHI PHARMA CORP (JP) | 2005-09-07 | — | — | EP | disclosed |
| US-20040138227-A1 | Phenoxypropylamine compounds | NISHIYAMA AKIRA | 2004-07-15 | — | — | US | disclosed |
| US-20040116422-A1 | Quinazoline derivatives | MITSUBISHI PHARMA CORPORATION (JP) | 2004-06-17 | — | — | US | disclosed |
| US-6720320-B2 | ANTISEROTONINE AGENTS | MITSUBISHI PHARMA CORPORATION (JP) | 2004-04-13 | — | — | US | disclosed |
| EP-1369418-A1 | QUINAZOLINE DERIVATIVES | Mitsubishi Pharma Corporation (JP) | 2003-12-10 | — | — | EP | disclosed |
| US-20020111358-A1 | Phenoxypropylamine compounds | MITSUBISHI PHARMA CORPORATION (JP) | 2002-08-15 | — | — | US | disclosed |
| EP-1188747-A1 | PHENOXYPROPYLAMINE COMPOUNDS | Mitsubishi Pharma Corporation (JP) | 2002-03-20 | — | — | EP | disclosed |
| US-4071550-A | Process for the production of aminocyanoacetic acid ethyl ester | LONZA, LTD. (CH) | 1978-01-31 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040138227-A1 | Phenoxypropylamine compounds | HTR1A, HTR1D, HTR5A | ALDH1A1 443/4885LMNA 3559/4885KMT2A 765/4885 |
| US-20020111358-A1 | Phenoxypropylamine compounds | HTR1A, HTR1D, HTR5A | ALDH1A1 443/4885LMNA 3559/4885KMT2A 765/4885 |
| US-20090137580-A1 | Fused Heterocyclic Derivatives and Use Thereof | TIE1, KDR, FLT1 | ALDH1A1 2646/4885LMNA 4763/4885KMT2A 219/4885 |
| US-20070265260-A1 | Quinazoline derivatives | TYK2, ROR1, JAK1 | ALDH1A1 3381/4885LMNA 2908/4885KMT2A 3039/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.