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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | ME3 | Q16798 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24342370 | 0.95 | EPHX2 (0.65) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL15055182 | 0.83 | EPHX2 (0.62) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL34468338 | 0.83 | EPHX2 (0.62) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL30718482 | 0.83 | EPHX2 (0.62) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL5801183 | 0.80 | EPHX2 (0.72) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL2469256 | 0.79 | EPHX2 (0.83) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL4693545 | 0.79 | EPHX2 (0.71) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL23387364 | 0.78 | LMNA (0.50) | EPHX2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL21624922 | 0.76 | LMNA (0.51) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL2753089 | 0.76 | EPHX2 (0.96) | EPHX2SIGMAR1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1930173-A | Process for preparing cephalosporin intermediates using alpha-iodo-1-azetidineacetic acid esters and trialkylphosphites | PFIZER PROD INC (US) | 2007-03-14 | — | — | CN | disclosed |