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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 3/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 6/20 | 0.35 |
| ▸ | PPARD | Q03181 | 6/20 | 0.35 |
| ▸ | PPARA | Q07869 | 6/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28846842 | 0.91 | SPHK1 (0.45) | SPHK1SPHK2TSHRALDH1A1MEN1 | |
| SCHEMBL6903893 | 0.91 | SPHK1 (0.45) | SPHK1SPHK2TSHRALDH1A1MEN1 | |
| Octane SCHEMBL27928054 | 0.77 | SPHK1 (0.46) | SPHK1SPHK2GPR84PPARGPPARD | |
| Heptane SCHEMBL27458394 | 0.77 | SPHK2 (0.54) | SPHK1SPHK2GPR84PPARGPPARD | |
| Octane SCHEMBL28329800 | 0.77 | SPHK2 (0.54) | SPHK1SPHK2GPR84PPARGPPARD | |
| Nonane SCHEMBL27546389 | 0.77 | SPHK2 (0.54) | SPHK1SPHK2GPR84PPARGPPARD | |
| Acetic Acid SCHEMBL5829098 | 0.77 | CA12 (0.42) | SPHK1SPHK2GPR84PPARGPPARD | |
| Dymanthine SCHEMBL27480304 | 0.77 | DNM1 (0.58) | SPHK1SPHK2KDM5APHF8KDM4C | |
| Acetic Acid SCHEMBL28326919 | 0.77 | DNM1 (0.58) | SPHK1SPHK2KDM5APHF8KDM4C | |
| Acetic Acid SCHEMBL11325664 | 0.76 | KDM5A (0.43) | SPHK1KDM5APHF8KDM4CALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107980042-B | Aryldihydro-2H-benzo [ b ] [1,4] oxazine sulfonamides and related compounds as ROR gamma agonists and for the treatment of disease | 莱斯拉公司 | 2021-10-08 | — | — | CN | disclosed |