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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3536329 | 0.89 | PKM (0.47) | CXCR4PKMKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL9417348 | 0.89 | PKM (0.47) | CXCR4PKMKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL9417365 | 0.79 | SIGMAR1 (0.42) | CXCR4PKMKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9417354 | 0.79 | SIGMAR1 (0.42) | CXCR4PKMKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL172975 | 0.78 | PKM (0.55) | CXCR4PKMALDH1A1KDM4ESIGMAR1 | |
| SCHEMBL3085536 | 0.78 | ALDH1A1 (0.44) | CXCR4TAAR1KMT2ASMN1; SMN2ALDH1A1 | |
| Acetic Acid SCHEMBL27615736 | 0.77 | TAAR1 (0.47) | CXCR4TAAR1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL14107151 | 0.76 | PKM (0.52) | CXCR4PKMALDH1A1KDM4ESIGMAR1 | |
| SCHEMBL14004326 | 0.75 | EPHX1 (0.67) | KMT2AALDH1A1KDM4E | |
| SCHEMBL25179800 | 0.75 | TAAR1 (0.46) | CXCR4PKMTAAR1KMT2ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5145874-A | Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity | THE UPJOHN COMPANY (US) | 1992-09-08 | — | — | US | claimed |
| EP-0243449-A1 | CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN | THE UPJOHN COMPANY (US) | 1987-11-04 | — | — | EP | claimed |
| WO-1987002367-A2 | CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN | THE UPJOHN COMPANY (US) | 1987-04-23 | — | — | WO | claimed |