Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexyl Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | NAAA | Q02083 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Nonylacetate SCHEMBL8054597 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Dodecylacetate SCHEMBL8359359 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Tridecylacetate SCHEMBL29005826 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Dodecylacetate SCHEMBL28108404 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Octyl Acetate SCHEMBL3674843 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Hexadecyl Ester SCHEMBL27949949 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Nonylacetate SCHEMBL28469869 | 1.00 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Decylacetate SCHEMBL28902741 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Hexyl Acetate SCHEMBL8521052 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Pentyl Ester SCHEMBL28494908 | 0.98 | ALDH1A1 (0.77) | ALDH1A1NAAATSHREPHX1HCAR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11987575-B2 | Tricyclic compounds as BCR-ABL inhibitors | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2024-05-21 | — | — | US | disclosed |
| US-11390634-B2 | Fused heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2022-07-19 | — | — | US | disclosed |
| US-20210115067-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-04-22 | — | — | US | disclosed |
| US-10981934-B2 | Fused heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-04-20 | — | — | US | disclosed |
| US-20200140462-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-05-07 | — | — | US | disclosed |
| US-10577382-B2 | Fused heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-03-03 | — | — | US | disclosed |
| US-20190106437-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-04-11 | — | — | US | disclosed |
| CN-107759460-A | A kind of method for preparing the more acid monomers of polyphenyls | 朱翠英 | 2018-03-06 | — | — | 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 (7 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.
“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.