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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 2/20 | 0.71 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.63 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.63 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.71 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.71 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.71 |
| ▸ | PTGIR | P43119 | 2/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.71 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.71 |
| ▸ | DRD1 | P21728 | 1/20 | 0.71 |
| ▸ | CKS1B | P61024 | 7/20 | 0.63 |
| ▸ | SKP1 | P63208 | 7/20 | 0.63 |
| ▸ | SKP2 | Q13309 | 7/20 | 0.63 |
| ▸ | CNR1 | P21554 | 5/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL2132049 | 0.95 | NR1I2 (0.70) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL29479211 | 0.95 | NR1I2 (0.70) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL19823442 | 0.86 | NR1I2 (0.64) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL29068587 | 0.86 | NR1I2 (0.75) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL18614888 | 0.86 | PTGIR (0.74) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL3697913 | 0.85 | NR1I2 (0.70) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL28690593 | 0.85 | NR1I2 (0.70) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL30572908 | 0.84 | NR1I2 (0.72) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL21496595 | 0.84 | NR1I2 (0.68) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL19820820 | 0.84 | NR1I2 (0.68) | NR1I2ADORA3TBXA2RAGTR1PTGIR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116745270-A | Process for preparing diphenylpyrazine derivatives | 埃科特莱茵药品有限公司 | 2023-09-12 | — | — | CN | claimed |
| CN-116744903-A | Pharmaceutical composition comprising diphenylpyrazine derivatives | 埃科特莱茵药品有限公司 | 2023-09-12 | — | — | CN | claimed |
| CN-116745270-A | Process for preparing diphenylpyrazine derivatives | 埃科特莱茵药品有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116745270-A | Process for preparing diphenylpyrazine derivatives | 埃科特莱茵药品有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116744903-A | Pharmaceutical composition comprising diphenylpyrazine derivatives | 埃科特莱茵药品有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116744903-A | Pharmaceutical composition comprising diphenylpyrazine derivatives | 埃科特莱茵药品有限公司 | 2023-09-12 | — | — | CN | disclosed |