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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.40 |
| ▸ | QRFPR | Q96P65 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | NPY4R | P50391 | 2/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.35 |
| ▸ | TFPI | P10646 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| 4-Nitroaniline SCHEMBL3439260 | 0.88 | ITGA4 (0.40) | ITGA4ITGB7QRFPRF2NPY4R | |
| Acetic Acid SCHEMBL7071345 | 0.87 | SSTR3 (0.46) | ITGA4ITGB7QRFPRF2PARP14 | |
| SCHEMBL5846772 | 0.85 | SSTR3 (0.47) | ITGA4ITGB7QRFPRF2PARP14 | |
| SCHEMBL7137218 | 0.81 | QRFPR (0.40) | QRFPRF2NPY4RNPY1RNPY2R | |
| SCHEMBL8227471 | 0.77 | KISS1R (0.45) | ITGA4ITGB7F2NPY4RNPY1R | |
| Hydrochloric Acid SCHEMBL11131996 | 0.77 | ITGA4 (0.45) | ITGA4ITGB7NPY4RNPY1RNPY2R | |
| SCHEMBL21220141 | 0.75 | AAK1 (0.42) | NPY4RNPY1RNPY2RNPY5R | |
| SCHEMBL30073980 | 0.74 | SSTR3 (0.47) | OPRD1OPRM1OPRK1 | |
| SCHEMBL30585153 | 0.74 | QRFPR (0.49) | QRFPRNPY1ROPRK1 | |
| SCHEMBL11439434 | 0.73 | OPRM1 (0.46) | F2OPRD1OPRM1OPRK1 |
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-0862742-B1 | ASSAY FOR BLOOD CLOTTING FACTORS VIII AND IX | OKLAHOMA MED RES FOUND (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-0862742-A1 | ASSAY FOR BLOOD CLOTTING FACTORS VIII AND IX | Oklahoma Medical Research Foundation (US) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997019357-A1 | ASSAY FOR BLOOD CLOTTING FACTORS VIII AND IX | OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) | 1997-05-29 | — | — | WO | disclosed |