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 | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 11/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22369902 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL104545 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL18844888 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL7776775 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL278463 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL19705361 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL19966112 | 0.85 | ALDH1A1 (0.47) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL28005455 | 0.84 | PDK1 (0.43) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| SCHEMBL23319701 | 0.83 | ALDH1A1 (0.45) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 | |
| Fluoride SCHEMBL7235974 | 0.83 | ALDH1A1 (0.45) | ATMEPHX1EPHX2SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6361940-B1 | IMMOBILIZATION; GENETIC ENGINEERING | QIAGEN GENOMICS, INC. | 2002-03-26 | — | — | US | disclosed |