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 | 2/20 | 0.88 |
| ▸ | LCK | P06239 | 1/20 | 0.88 |
| ▸ | FYN | P06241 | 1/20 | 0.88 |
| ▸ | LMNA | P02545 | 3/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 SCHEMBL10641112 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL9841862 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL6652773 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL27534860 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL36402 | 1.00 | — | — | |
| Acetic Acid SCHEMBL11258467 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL11372553 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL4273550 | 0.94 | — | — | |
| Acetic Acid SCHEMBL11332769 | 0.94 | — | — | |
| Acetic Acid SCHEMBL9270196 | 0.94 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR |
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-3829601-A1 | INJECTABLE PROLONGED-ACTION COMPOSITIONS FOR USE IN THE TREATMENT OF NAIL DISEASE AND/OR FOR PROMOTING NAIL GROWTH | EDIX-O SARL (LU) | 2021-06-09 | — | — | EP | disclosed |
| WO-2020025683-A1 | INJECTABLE PROLONGED-ACTION COMPOSITIONS FOR USE IN THE TREATMENT OF NAIL DISEASE AND/OR FOR PROMOTING NAIL GROWTH | EDIX-O SARL (LU) | 2020-02-06 | — | — | WO | disclosed |