Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TERT | O14746 | 3/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | F7 | P08709 | 2/20 | 0.42 |
| ▸ | F3 | P13726 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
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 SCHEMBL28514189 | 1.00 | MAPT (0.57) | MAPTABCC4LMNAUSP2RECQL | |
| Acetic Acid SCHEMBL3194485 | 0.94 | MAPT (0.48) | MAPTABCC4LMNAUSP2RECQL | |
| Acetic Acid SCHEMBL3194491 | 0.94 | MAPT (0.48) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL1521286 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL15620243 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL1521428 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL6668480 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL21219314 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL21219349 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL | |
| SCHEMBL1521429 | 0.87 | TSHR (0.55) | MAPTABCC4LMNAUSP2RECQL |
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 |
|---|---|---|---|---|---|---|---|
| CN-111727967-A | Preparation method of compound insect sex pheromone for preventing and controlling rice field pests | 深圳市鑫稻田农业技术科技有限公司 | 2020-10-02 | — | — | CN | claimed |
| CN-111727967-A | Preparation method of compound insect sex pheromone for preventing and controlling rice field pests | 深圳市鑫稻田农业技术科技有限公司 | 2020-10-02 | — | — | CN | disclosed |