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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 3/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4158554 | 0.89 | KMT2A (0.70) | KMT2AMEN1THRBCA2CA1 | |
| SCHEMBL370668 | 0.89 | KMT2A (0.70) | KMT2AMEN1THRBCA2CA1 | |
| SCHEMBL22719534 | 0.88 | KMT2A (0.68) | KMT2AMEN1THRBCA2CA1 | |
| SCHEMBL29889311 | 0.88 | KMT2A (0.68) | KMT2AMEN1THRBCA2CA1 | |
| Hydrochloric Acid SCHEMBL28910568 | 0.88 | KMT2A (0.68) | KMT2AMEN1THRBCA2CA1 | |
| Acetic Acid SCHEMBL27721273 | 0.80 | HSD17B10 (0.58) | KMT2AMEN1THRBL3MBTL1TDP1 | |
| SCHEMBL563639 | 0.79 | TDP1 (0.57) | KMT2AMEN1THRBCA2CA1 | |
| SCHEMBL6469328 | 0.78 | CA2 (0.48) | KMT2AMEN1THRBCA2CA1 | |
| Acetic Acid SCHEMBL3817020 | 0.78 | KMT2A (0.61) | KMT2AMEN1THRBCA2CA1 | |
| Acetic Acid SCHEMBL28846418 | 0.78 | HSD17B10 (0.56) | KMT2AMEN1THRBL3MBTL1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |