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 | 0.48 |
| ▸ | TSHR | P16473 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | GGT1 | P19440 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778 | 0.95 | TSHR (0.52) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| SCHEMBL30084385 | 0.95 | TSHR (0.52) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| Acetic Acid SCHEMBL28815277 | 0.94 | ALDH1A1 (0.56) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| Acetone SCHEMBL29281281 | 0.93 | TSHR (0.50) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| SCHEMBL27931437 | 0.93 | TSHR (0.50) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| SCHEMBL6383298 | 0.93 | TSHR (0.50) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| SCHEMBL1896602 | 0.93 | TSHR (0.50) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| SCHEMBL28206063 | 0.93 | TSHR (0.50) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| SCHEMBL154741 | 0.91 | ALDH1A1 (0.58) | TSHRALDH1A1HSD17B10KDM4ETDP1 | |
| Phthalic Acid SCHEMBL27618505 | 0.91 | ALDH1A1 (0.58) | TSHRALDH1A1HSD17B10KDM4ETDP1 |
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-112451531-B | Aspirin and rivaroxaban compound preparation and preparation method thereof | 乐普药业股份有限公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-112451531-A | Aspirin and rivaroxaban compound preparation and preparation method thereof | 乐普药业股份有限公司 | 2021-03-09 | — | — | CN | disclosed |