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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 2/20 | 0.39 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
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 SCHEMBL17699277 | 1.00 | CPB2 (0.45) | CPB2ALDH1A1LMNAHSD17B10CA2 | |
| Ethyl Acetate SCHEMBL5064725 | 0.97 | CPB2 (0.47) | CPB2ALDH1A1LMNAHSD17B10CA2 | |
| Ethyl Acetate SCHEMBL1279632 | 0.97 | CPB2 (0.47) | CPB2ALDH1A1LMNAHSD17B10CA2 | |
| Acetic Acid SCHEMBL3260364 | 0.95 | CPB2 (0.49) | CPB2LMNACA2GRIK1GRIK2 | |
| SCHEMBL277442 | 0.90 | CPB2 (0.53) | CPB2LMNACA2GRIK1GRIK2 | |
| SCHEMBL319980 | 0.90 | CPB2 (0.53) | CPB2LMNACA2GRIK1GRIK2 | |
| Methyl Alcohol SCHEMBL7668985 | 0.89 | CPB2 (0.51) | CPB2LMNACA2GRIK1GRIK2 | |
| Ammonia Solution, Strong SCHEMBL5121318 | 0.89 | CPB2 (0.51) | CPB2LMNACA2GRIK1GRIK2 | |
| SCHEMBL3845206 | 0.88 | CPB2 (0.50) | CPB2LMNACA2GRIK1GRIK2 | |
| Acetic Acid SCHEMBL1767861 | 0.87 | CPB2 (0.53) | CPB2CA2GRIK1GRIK2GPR84 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104640847-B | Novel Renin Inhibitors | 上海医药集团股份有限公司 | 2019-10-15 | — | — | CN | disclosed |
| EP-2933248-B1 | NOVEL RENIN INHIBITOR | MITSUBISHI TANABE PHARMA CORP (JP) | 2018-01-31 | — | — | EP | disclosed |
| US-9556159-B2 | Renin inhibitor | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2017-01-31 | — | — | US | disclosed |
| EP-2933248-A1 | NOVEL RENIN INHIBITOR | Mitsubishi Tanabe Pharma Corporation (JP) | 2015-10-21 | — | — | EP | disclosed |
| US-20150232459-A1 | NOVEL RENIN INHIBITOR | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2015-08-20 | — | — | US | disclosed |
| CN-104640847-A | Novel Renin Inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO LTD | 2015-05-20 | — | — | CN | 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 (1 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-20150232459-A1 | NOVEL RENIN INHIBITOR | REN, AGTR1, ACE | CPB2 75/4885ALDH1A1 2192/4885LMNA 3348/4885 |
“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.