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 | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL158431 | 0.94 | CD44 (0.48) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL29442190 | 0.94 | CD44 (0.48) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| Acetonitrile SCHEMBL28885695 | 0.85 | CD44 (0.41) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| Acetic Acid SCHEMBL28203593 | 0.82 | MYC (0.47) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| Acetic Acid SCHEMBL30355029 | 0.82 | MYC (0.47) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL704587 | 0.82 | CD44 (0.48) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL29413052 | 0.82 | CD44 (0.48) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL130355 | 0.82 | KDM4E (0.61) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL29367017 | 0.82 | KDM4E (0.61) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| Acetic Acid SCHEMBL30708980 | 0.82 | HPGD (0.50) | MYCALDH1A1HPGDKDM4EHSD17B10 |
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-114605421-A | Spiro-2, 3-dihydroquinoline-4-ketone-3, 4-dihydrocoumarin bioactive skeleton and synthesis method and application thereof | 山东瀚华工程设计有限公司 | 2022-06-10 | — | — | CN | disclosed |
| CN-113651829-A | Spiro-2, 3-dihydroquinoline-4-ketone-3, 4-dihydrocoumarin bioactive skeleton and synthesis method and application thereof | 山东瀚华工程设计有限公司 | 2021-11-16 | — | — | CN | disclosed |