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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PAM | P19021 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL231282 | 0.92 | TSHR (0.61) | ALDH1A1TSHRNPC1MAPTPAM | |
| Hydrochloric Acid SCHEMBL7053203 | 0.90 | TSHR (0.58) | ALDH1A1TSHRNPC1MAPTPAM | |
| SCHEMBL4226282 | 0.90 | TSHR (0.58) | ALDH1A1TSHRNPC1MAPTPAM | |
| Ether SCHEMBL954914 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRNPC1MAPTPAM | |
| Acetic Acid SCHEMBL4466285 | 0.86 | TSHR (0.71) | ALDH1A1TSHRNPC1MAOBRAB9A | |
| Acetic Acid SCHEMBL28710458 | 0.86 | TSHR (0.71) | ALDH1A1TSHRNPC1MAOBRAB9A | |
| SCHEMBL712779 | 0.84 | ALDH1A1 (0.59) | ALDH1A1TSHRNPC1MAPTGRM5 | |
| SCHEMBL1956559 | 0.82 | TSHR (0.54) | ALDH1A1TSHRPAMGRM5KMT2A | |
| SCHEMBL8775706 | 0.82 | TSHR (0.54) | ALDH1A1TSHRNPC1MAPTPAM | |
| Trifluoroacetic Acid SCHEMBL4658961 | 0.81 | CES1 (0.52) | ALDH1A1TSHRPAMGRM5 |
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-109824501-B | Aryl iodine compound containing carboxydifluoro methylene at ortho position and preparation method thereof | 浙江师范大学 | 2021-05-25 | — | — | CN | disclosed |