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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | CDC25A | P30304 | 1/20 | 0.59 |
| ▸ | CDC25B | P30305 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | MYC | P01106 | 1/20 | 0.52 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28658551 | 1.00 | KDM4E (0.62) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| Acetic Acid SCHEMBL28378940 | 1.00 | KDM4E (0.62) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| Acetic Acid SCHEMBL39490 | 1.00 | KDM4E (0.62) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| Acetic Acid SCHEMBL17891250 | 0.98 | KDM4E (0.60) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| Methyl Alcohol SCHEMBL29156163 | 0.93 | KDM4E (0.64) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| SCHEMBL29899307 | 0.93 | KDM4E (0.69) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| SCHEMBL29350135 | 0.93 | KDM4E (0.69) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| SCHEMBL23861 | 0.93 | KDM4E (0.69) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| SCHEMBL23279 | 0.93 | KDM4E (0.69) | KDM4EHSD17B10CDC25ACDC25BPOLB | |
| SCHEMBL30163040 | 0.93 | KDM4E (0.69) | KDM4EHSD17B10CDC25ACDC25BPOLB |
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-110876732-A | Slow release composition of ticagrelor or pharmaceutically acceptable salt thereof | 江苏恒瑞医药股份有限公司 | 2020-03-13 | — | — | CN | claimed |