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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
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 SCHEMBL2635163 | 0.95 | TSHR (0.48) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| SCHEMBL41548 | 0.92 | TSHR (0.52) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| Isopropyl Alcohol SCHEMBL28680436 | 0.87 | TSHR (0.48) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| Propionic Acid SCHEMBL15377327 | 0.86 | FFAR3 (0.46) | TSHRALDH1A1RAB9ASMN1; SMN2FFAR3 | |
| Alcohol SCHEMBL27997118 | 0.85 | TSHR (0.46) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| SCHEMBL9243131 | 0.84 | TSHR (0.47) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| Acetic Acid Isobutyl Ester SCHEMBL28725272 | 0.82 | TSHR (0.54) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| Acetic Acid Isobutyl Ester SCHEMBL1864546 | 0.82 | TSHR (0.54) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| Ether SCHEMBL28148232 | 0.81 | TSHR (0.43) | TSHRALDH1A1RAB9ATDP1SMN1; SMN2 | |
| SCHEMBL31318628 | 0.81 | TSHR (0.39) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000074661-A2 | SOLUBILITY ENHANCEMENT OF DRUGS IN TRANSDERMAL DRUG DELIVERY SYSTEMS AND METHODS OF USE | NOVEN PHARMACEUTICALS, INC. (US) | 2000-12-14 | — | — | WO | disclosed |