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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL700675 | 0.94 | — | — | |
| Lithium SCHEMBL31020369 | 0.91 | — | — | |
| Potassium SCHEMBL31124787 | 0.91 | — | — | |
| SCHEMBL28306350 | 0.91 | — | — | |
| SCHEMBL28626464 | 0.91 | — | — | |
| SCHEMBL655223 | 0.91 | — | — | |
| SCHEMBL16566844 | 0.91 | — | — | |
| SCHEMBL7641327 | 0.91 | — | — | |
| SCHEMBL4007239 | 0.91 | — | — | |
| SCHEMBL508198 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805365-B | Factor XIA new macrocycles carrying non-aromatic P2' groups | 百时美施贵宝公司 | 2024-07-23 | — | — | CN | disclosed |
| EP-3868753-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP | BRISTOL MYERS SQUIBB CO (US) | 2022-12-21 | — | — | EP | disclosed |
| CN-114874222-A | Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA | 百时美施贵宝公司 | 2022-08-09 | — | — | CN | disclosed |
| EP-2427465-A1 | SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129729-A1 | SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |