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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.60 |
| ▸ | WNT3A | P56704 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13161971 | 0.95 | CTNNB1 (0.66) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| Acetic Acid SCHEMBL31073934 | 0.90 | CTNNB1 (0.57) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| Acetic Acid SCHEMBL28040553 | 0.84 | KMT2A (0.70) | LMNANAPRTP4HTML3MBTL1KMT2A | |
| SCHEMBL256813 | 0.83 | CTNNB1 (0.60) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| 2-Picolinic Acid SCHEMBL5694340 | 0.80 | LMNA (0.87) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| 2-Picolinic Acid SCHEMBL27658889 | 0.80 | LMNA (0.87) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| SCHEMBL12143400 | 0.79 | KMT2A (0.55) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| SCHEMBL5717594 | 0.79 | L3MBTL1 (0.64) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| SCHEMBL3813782 | 0.79 | CTNNB1 (0.58) | CTNNB1WNT3ALMNANAPRTP4HTM | |
| SCHEMBL15197231 | 0.78 | CTNNB1 (0.55) | CTNNB1WNT3ALMNANAPRTP4HTM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114286816-A | Difluoro-halogenated allylamine sulfone derivative inhibitor of lysyl oxidase, preparation method and application thereof | 法玛西斯有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-112533897-A | Haloallylamine sulfone derivative inhibitors of lysyl oxidase and uses thereof | 法玛西斯有限公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-106659700-B | Sulfur fluoride (VI) compound and preparation method thereof | 斯克里普斯研究所 | 2020-07-10 | — | — | CN | disclosed |