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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 8/20 | 0.63 |
| ▸ | PARP1 | P09874 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28558933 | 0.90 | PARP10 (0.68) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| Benzene SCHEMBL6865184 | 0.90 | PARP10 (0.68) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| SCHEMBL7642130 | 0.90 | PARP10 (0.74) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| SCHEMBL56532 | 0.90 | PARP10 (0.74) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| Terephthalamide SCHEMBL437011 | 0.90 | PARP10 (0.74) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| SCHEMBL3948590 | 0.88 | PARP10 (0.61) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4408462 | 0.87 | PARP10 (0.71) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| Water SCHEMBL6343332 | 0.87 | PARP10 (0.71) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| Aniline SCHEMBL28319061 | 0.86 | TSHR (0.68) | PARP10PARP1MAPTL3MBTL1CYP3A4 | |
| Acetic Acid Methyl Ester SCHEMBL28099846 | 0.85 | PARP10 (0.62) | PARP10PARP1MAPTL3MBTL1CYP3A4 |
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-116997366-A | Mixed mode cation exchange chromatography ligands based on 1, 3-dioxoisoindolin-2-yl structure | 生物辐射实验室股份有限公司 | 2023-11-03 | — | — | CN | disclosed |