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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.49 |
| ▸ | OGFRL1 | Q5TC84 | 7/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11822954 | 1.00 | OPRM1 (0.49) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11596744 | 0.95 | OPRM1 (0.50) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11597100 | 0.88 | OPRM1 (0.47) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11596389 | 0.88 | OPRM1 (0.49) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11245152 | 0.87 | OPRM1 (0.48) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11874517 | 0.86 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Acetic Acid SCHEMBL11624488 | 0.86 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11598173 | 0.84 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Oxalic Acid SCHEMBL11601856 | 0.84 | OPRM1 (0.49) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL11341915 | 0.83 | OPRM1 (0.45) | OPRM1OGFRL1OPRL1OPRD1OPRK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4118394-A | ANTIULCER, ANTIDEPRESSANT | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-10-03 | — | — | US | disclosed |
| US-4066780-A | Pyranoindole derivatives as antiulcer agents | AYERST MCKENNA AND HARRISON LTD. (CA) | 1978-01-03 | — | — | US | disclosed |
| US-4066779-A | ANTIDEPRESSANT, ANTIULCER | AYERST, MCKENNA AND HARRISON LTD. (CA) | 1978-01-03 | — | — | US | disclosed |
| US-4056537-A | CYCLIZATION, ACID CATALYST | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-11-01 | — | — | US | disclosed |
| US-4056538-A | ANTIDEPRESSANTS, ANTIULCER AGENTS | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1977-11-01 | — | — | US | disclosed |
| US-4041169-A | TREATING AND PREVENTING ULCERS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-08-09 | — | — | US | disclosed |
| US-4003913-A | ANTIDEPRESSANTS, ANTIULCER AGENTS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-01-18 | — | — | US | disclosed |