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 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PAM | P19021 | 2/20 | 0.39 |
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 SCHEMBL6492983 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Ethyl Acetate SCHEMBL1238750 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Ethyl Acetate SCHEMBL6491161 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL1816394 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL989387 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL988009 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL1149338 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL5722467 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL15993372 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 | |
| Acetic Acid SCHEMBL4859810 | 0.94 | CYP1A2 (0.57) | ALDH1A1HSD17B10LMNACYP1A2CYP4F2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050245571-A1 | Amine derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-03 | — | — | US | disclosed |
| EP-1437351-A1 | AMINE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2004-07-14 | — | — | EP | 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-20050245571-A1 | Amine derivative | NPY1R, SSTR1, SSTR5 | ALDH1A1 2688/4885HSD17B10 2125/4885LMNA 3329/4885 |
“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.