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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
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 SCHEMBL283399 | 0.97 | FFAR3 (0.50) | FFAR3LCKFYNKDM4ECA2 | |
| Bicarbonate SCHEMBL28549988 | 0.86 | TSHR (0.41) | FFAR3LCKFYNKDM4ECA2 | |
| Hydrochloric Acid SCHEMBL283187 | 0.82 | — | — | |
| Acetic Acid SCHEMBL27458299 | 0.80 | FFAR3 (0.47) | FFAR3LCKFYNKDM4ECA2 | |
| SCHEMBL189693 | 0.78 | — | — | |
| Acetic Acid SCHEMBL3143927 | 0.76 | FFAR3 (0.50) | FFAR3LCKFYNKDM4ECA2 | |
| SCHEMBL8074138 | 0.73 | — | — | |
| Acetic Acid SCHEMBL3151584 | 0.73 | — | — | |
| Acetic Acid SCHEMBL8930581 | 0.73 | FFAR3 (0.88) | FFAR3LCKFYNKDM4ECA2 | |
| Acetic Acid SCHEMBL11224118 | 0.73 | FFAR3 (0.88) | FFAR3LCKFYNKDM4ECA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1095012-A1 | NOVEL SALTS OF N-TERT-BUTYLHYDROXYLAMINE | AstraZeneca AB (SE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000002848-A1 | NOVEL SALTS OF N-TERT-BUTYLHYDROXYLAMINE | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | WO | disclosed |