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 | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 3/20 | 0.31 |
| ▸ | TPX2 | Q9ULW0 | 3/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL27435182 | 0.69 | TSHR (0.56) | LMNACYP1A2CYP2D6TSHRBLM | |
| Acetic Acid SCHEMBL9446755 | 0.68 | CSNK2A1 (0.55) | ROCK2CYP1A2NPSR1ALDH1A1MAPT | |
| 1,2-Dichlorobenzene SCHEMBL27754908 | 0.66 | TSHR (0.59) | LMNACYP1A2CYP2D6TSHRBLM | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.66 | TSHR (0.59) | LMNACYP1A2CYP2D6TSHRBLM | |
| 1,4-Dichlorobenzene SCHEMBL76049 | 0.65 | ALOX15 (0.60) | LMNACYP1A2CYP2D6MEN1KMT2A | |
| Chlorobenzene SCHEMBL27974158 | 0.64 | TSHR (0.61) | LMNACYP1A2MEN1KMT2ATSHR | |
| Chlorobenzene SCHEMBL28069354 | 0.64 | TSHR (0.61) | LMNACYP1A2MEN1KMT2ATSHR | |
| 1,2-Dichlorobenzene SCHEMBL29087567 | 0.64 | TSHR (0.56) | LMNACYP1A2CYP2D6TSHRBLM | |
| Acetic Acid SCHEMBL27558070 | 0.63 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL28758659 | 0.63 | TPMT (0.57) | MEN1KMT2ATSHRNPSR1ALDH1A1 |
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-107426993-A | Modulation of microencapsulated pesticide release rate | 孟山都技术公司 | 2017-12-01 | — | — | CN | disclosed |