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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.89 |
| ▸ | CA4 | P22748 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 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 SCHEMBL27628723 | 1.00 | CA1 (0.89) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL586756 | 1.00 | CA1 (0.89) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL23872 | 1.00 | — | — | |
| Acetic Acid SCHEMBL11588982 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL10422345 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL23924735 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL17584783 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL80426 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL1986019 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL10955029 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO |
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-115461057-A | Sialic acid compositions for inhibiting and treating coronavirus infection | 生命科学股份有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-114450026-A | Sialic acid for use in the treatment of psoriasis | 生命科学股份有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-111902053-A | Lysophosphatidylcholine compositions | 阿克海洋生物南极股份公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-111787925-A | N-acetylneuraminic acid compositions and methods of use | 生命科学股份有限公司 | 2020-10-16 | — | — | CN | disclosed |
| US-20110212090-A1 | Combinatorial Analysis and Repair | DAKO DENMARK A/S | 2011-09-01 | — | — | US | disclosed |