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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.38 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.33 |
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.33 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | EYA2 | O00167 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | BLM | P54132 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL103303 | 0.97 | TDP1 (0.52) | TDP1EYA2APPACELMNA | |
| SCHEMBL77671 | 0.95 | TDP1 (0.55) | TDP1EYA2APPACELMNA | |
| SCHEMBL120640 | 0.92 | — | — | |
| SCHEMBL14890359 | 0.92 | TDP1 (0.58) | TDP1EYA2APPACELMNA | |
| SCHEMBL9306714 | 0.89 | TDP1 (0.55) | TDP1EYA2APPACELMNA | |
| SCHEMBL9304702 | 0.89 | TDP1 (0.55) | TDP1EYA2APPACELMNA | |
| Potassium SCHEMBL3894343 | 0.89 | TDP1 (0.55) | TDP1EYA2APPACELMNA | |
| SCHEMBL9306621 | 0.89 | TDP1 (0.55) | TDP1EYA2APPACELMNA | |
| SCHEMBL9305268 | 0.89 | TDP1 (0.55) | TDP1EYA2APPACELMNA | |
| SCHEMBL9304543 | 0.89 | TDP1 (0.55) | TDP1EYA2APPACELMNA |
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-110742079-B | Pesticide composition for promoting root growth and increasing yield of edible leguminous crops, preparation and application | 四川国光农化股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-110742079-A | Pesticide composition for promoting root growth and increasing yield of edible leguminous crops, preparation and application | 四川国光农化股份有限公司 | 2020-02-04 | — | — | CN | disclosed |