Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
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 SCHEMBL3776197 | 0.98 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL130336 | 0.98 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL6544884 | 0.98 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL15194119 | 0.98 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL16332300 | 0.98 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Cyclohexane SCHEMBL11112885 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL1057423 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL1873691 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL3423313 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL27894297 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024099229-A1 | 2-AMINOPYRIMIDINE COMPOUND AND USE THEREOF | 沈阳药科大学 | 2024-05-16 | — | — | WO | disclosed |
| CN-118005609-A | 2-Aminopyrimidine compound and application thereof | 沈阳药科大学 | 2024-05-10 | — | — | CN | disclosed |
| US-20230219911-A1 | BENZOTHIAZOLE DERIVATIVES AND USES THEREOF | HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2023-07-13 | — | — | US | disclosed |
| CN-113831301-B | Benzothiazole derivative and application thereof | 沈阳药科大学 | 2023-06-06 | — | — | CN | disclosed |
| EP-4163272-A1 | BENZOTHIAZOLE DERIVATIVE AND APPLICATION THEREOF | Shenyang Pharmaceutical University (CN) | 2023-04-12 | — | — | EP | disclosed |
| CN-115515944-A | Benzothiazole derivative and application thereof | 沈阳药科大学 | 2022-12-23 | — | — | CN | disclosed |
| EP-3998254-A1 | 2-AMINOPYRIMIDINE COMPOUND AND APPLICATION THEREOF | Shenyang Pharmaceutical University (CN) | 2022-05-18 | — | — | EP | disclosed |
| CN-113891881-A | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2022-01-04 | — | — | CN | disclosed |
| CN-113831301-A | Benzothiazole derivative and application thereof | 沈阳药科大学 | 2021-12-24 | — | — | CN | disclosed |
| CN-111423384-B | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-104271574-B | Heterocyclic compounds | 武田药品工业株式会社 | 2017-01-25 | — | — | CN | disclosed |
| US-20160039811-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-02-11 | — | — | US | disclosed |
| EP-2980089-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-02-03 | — | — | EP | disclosed |
| US-9085578-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-21 | — | — | US | disclosed |
| US-20150045349-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2015-02-12 | — | — | US | disclosed |
| EP-2818473-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-12-31 | — | — | EP | disclosed |
| US-7501515-B2 | Polymorphic form of 17-β-(N-ter. butyl carbamoyl)-4-aza-5-α-androst-1-en-3-one | DR. REDDY'S LABORATORIES LIMITED (IN) | 2009-03-10 | — | — | US | disclosed |
| US-20050059691-A1 | Novel polymorphic form of 17-beta-(N-ter. butyl carbamoyl)-4-aza-5-alpha-androst-1-en-3-one and a process for preparing it | DR. REDDY'S LABORATORIES LTD. | 2005-03-17 | — | — | US | disclosed |
| US-3987067-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-10-19 | — | — | US | disclosed |
| US-3959319-A | FREE FLOWING CRYSTALS | THE UPJOHN COMPANY (US) | 1976-05-25 | — | — | 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-20050059691-A1 | Novel polymorphic form of 17-beta-(N-ter. butyl carbamoyl)-4-aza-5-alpha-androst-1-en-3-one and a process for preparing it | NR5A1, CYP19A1, CYP51A1 | ALDH1A1 453/4885LMNA 3000/4885HSD17B10 81/4885 |
| US-20160039811-A1 | HETEROCYCLIC COMPOUND | JAK2, JAK1, STAT3 | ALDH1A1 3451/4885LMNA 1158/4885HSD17B10 2956/4885 |
| US-20150045349-A1 | HETEROCYCLIC COMPOUND | TYK2, SSB, UACA | ALDH1A1 4734/4885LMNA 2866/4885HSD17B10 3307/4885 |
| US-20230219911-A1 | BENZOTHIAZOLE DERIVATIVES AND USES THEREOF | CYP4F11, SLC5A1, GOT1 | ALDH1A1 160/4885LMNA 3762/4885HSD17B10 1663/4885 |
“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.