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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 12/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 12/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.43 |
| ▸ | NMUR2 | Q9GZQ4 | 2/20 | 0.42 |
| ▸ | NMUR1 | Q9HB89 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30440642 | 0.97 | OPRM1 (0.47) | OPRM1OPRK1CXCR4APLNRNMUR2 | |
| SCHEMBL30440639 | 0.97 | OPRM1 (0.47) | OPRM1OPRK1CXCR4APLNRNMUR2 | |
| SCHEMBL30440660 | 0.93 | OPRM1 (0.46) | OPRM1OPRK1CXCR4NMUR2NMUR1 | |
| Acetic Acid SCHEMBL2268904 | 0.91 | OPRM1 (0.44) | OPRM1OPRK1CXCR4NMUR2NMUR1 | |
| Acetic Acid SCHEMBL1307421 | 0.91 | OPRM1 (0.44) | OPRM1OPRK1CXCR4NMUR2NMUR1 | |
| SCHEMBL30585577 | 0.90 | OPRM1 (0.48) | OPRM1OPRK1NMUR2NMUR1ABCB11 | |
| SCHEMBL9616909 | 0.89 | OPRK1 (0.43) | OPRM1OPRK1CXCR4 | |
| SCHEMBL11644393 | 0.89 | OPRK1 (0.43) | OPRM1OPRK1CXCR4 | |
| SCHEMBL9616907 | 0.89 | OPRK1 (0.43) | OPRM1OPRK1CXCR4 | |
| Acetic Acid SCHEMBL20769309 | 0.89 | OPRM1 (0.47) | OPRM1OPRK1NMUR2NMUR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116270965-A | Method and composition for stabilizing cetrorelix lyophilized composition | 海南中和药业股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116217672-A | Pure gonadotropin releasing hormone antagonist cetrorelix | 海南中和药业股份有限公司 | 2023-06-06 | — | — | CN | disclosed |