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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1523492 | 0.91 | CD44 (0.48) | CD44ALDH1A1KMT2ACA12CA1 | |
| SCHEMBL1954846 | 0.78 | CA1 (0.45) | CD44ALDH1A1KMT2ACA12CA1 | |
| SCHEMBL615250 | 0.77 | CD44 (0.46) | KDM4ESMN1; SMN2CD44ALDH1A1CA12 | |
| SCHEMBL11024382 | 0.76 | ALDH1A1 (0.53) | KDM4ESMN1; SMN2ALDH1A1KMT2ACA12 | |
| SCHEMBL27264409 | 0.76 | BRPF1 (0.41) | KDM4ESMN1; SMN2ALDH1A1KMT2ACA1 | |
| SCHEMBL28026576 | 0.76 | CA2 (0.54) | SMN1; SMN2ALDH1A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL11803726 | 0.76 | TDP1 (0.46) | KDM4ESMN1; SMN2CD44ALDH1A1CYP3A4 | |
| SCHEMBL5638259 | 0.75 | CD44 (0.48) | KDM4ECD44ALDH1A1KMT2ACA12 | |
| SCHEMBL29469942 | 0.75 | TRPA1 (0.48) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL28506091 | 0.75 | CD44 (0.48) | KDM4ESMN1; SMN2CD44ALDH1A1KMT2A |
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-2001092288-A2 | COBALAMIN COMPOUNDS USEFUL AS ANTIBIOTIC AGENTS AND AS IMAGING AGENTS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2001-12-06 | — | — | WO | disclosed |