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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pyruvate SCHEMBL8170764 | 0.93 | ALDH1A1 (0.36) | ALDH1A1CA12CA1CA2CA9 | |
| Acetic Acid SCHEMBL1802264 | 0.89 | TERT (0.41) | ALDH1A1CA12CA1CA2CA9 | |
| Glycine SCHEMBL15798316 | 0.88 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA9 | |
| Water SCHEMBL740785 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL934320 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2417 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2229127 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9790 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| Alcohol SCHEMBL7566185 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 | |
| Bicarbonate SCHEMBL5227 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015089639-A1 | EXCIMER FORMING COMPOUNDS | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2015-06-25 | — | — | WO | disclosed |
| WO-2001007613-A2 | METHOD FOR ENHANCING RNA OR PROTEIN PRODUCTION USING NON-NATIVE 5' UNTRANSLATED SEQUENCES IN RECOMBINANT VIRAL NUCLEIC ACIDS | LARGE SCALE BIOLOGY CORPORATION (US) | 2001-02-01 | — | — | WO | disclosed |