Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Pentyl Ester. 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 | 4/20 | 0.77 |
| ▸ | NAAA | Q02083 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid Pentyl Ester SCHEMBL29498410 | 1.00 | ALDH1A1 (0.77) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Acetic Acid Pentyl Ester SCHEMBL2584900 | 1.00 | ALDH1A1 (0.77) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Nonylacetate SCHEMBL28469869 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Octyl Acetate SCHEMBL3674843 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Acetic Acid Hexadecyl Ester SCHEMBL27949949 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Tridecylacetate SCHEMBL29005826 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Hexyl Acetate SCHEMBL20874997 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Nonylacetate SCHEMBL8054597 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Dodecylacetate SCHEMBL8359359 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Dodecylacetate SCHEMBL28108404 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111542928-A | Paste composition for solar cell electrode and solar cell manufactured using same | LS-Nikko铜制炼株式会社 | 2020-08-14 | — | — | CN | claimed |