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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1173128 | 0.84 | GRIK1 (0.35) | ALDH1A1S1PR1S1PR3TSHRGPR84 | |
| SCHEMBL30179073 | 0.82 | S1PR1 (0.49) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL1644714 | 0.82 | S1PR1 (0.49) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL1824385 | 0.82 | ALOX15 (0.38) | ALDH1A1TSHR | |
| SCHEMBL2988281 | 0.81 | S1PR1 (0.51) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL7775091 | 0.81 | S1PR1 (0.51) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL2983602 | 0.81 | S1PR1 (0.51) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL6710658 | 0.81 | S1PR1 (0.48) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL2974727 | 0.81 | S1PR1 (0.51) | S1PR1S1PR3NAAATSHRHCAR2 | |
| SCHEMBL7918477 | 0.81 | S1PR1 (0.51) | S1PR1S1PR3NAAATSHRHCAR2 |
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 |