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 | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.68 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.62 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.57 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.57 |
| ▸ | HTR1D | P28221 | 2/20 | 0.52 |
| ▸ | HTR6 | P50406 | 2/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | HTR1E | P28566 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7696761 | 0.81 | AKR1C2 (0.61) | PTPN5AKR1C2MTNR1AMTNR1BPTGS1 | |
| Deschlorobenzoyl Indomethacin SCHEMBL454792 | 0.77 | AKR1C2 (1.00) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D | |
| SCHEMBL10205891 | 0.77 | AKR1C2 (0.80) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D | |
| SCHEMBL6989119 | 0.77 | PTGS1 (0.58) | PTPN5HTR6PTGS1PTGS2HTR7 | |
| SCHEMBL9359811 | 0.76 | AKR1C2 (0.62) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D | |
| Hydrochloric Acid SCHEMBL25260391 | 0.76 | AKR1C2 (0.61) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D | |
| SCHEMBL11793036 | 0.76 | AKR1C2 (0.61) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D | |
| SCHEMBL3264594 | 0.76 | MTNR1A (0.71) | AKR1C2MTNR1AMTNR1BPTGS2NQO2 | |
| SCHEMBL852717 | 0.75 | AKR1C2 (0.76) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D | |
| SCHEMBL11791916 | 0.75 | AKR1C2 (0.60) | PTPN5AKR1C2MTNR1AMTNR1BHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0805684-A4 | METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN | UNIV TEXAS (US) | 1998-08-05 | — | — | EP | disclosed |
| EP-0805684-A2 | METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022780-A1 | METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-08-01 | — | — | WO | disclosed |