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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.55 |
| ▸ | CA2 | P00918 | 11/20 | 0.55 |
| ▸ | CA9 | Q16790 | 11/20 | 0.55 |
| ▸ | CA12 | O43570 | 8/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 8/20 | 0.55 |
| ▸ | LGALS3 | P17931 | 8/20 | 0.49 |
| ▸ | LGALS1 | P09382 | 5/20 | 0.49 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29842204 | 0.89 | CA1 (0.56) | CA1CA2CA9CA12CA14 | |
| SCHEMBL176226 | 0.89 | CA1 (0.56) | CA1CA2CA9CA12CA14 | |
| SCHEMBL22004612 | 0.89 | CA1 (0.58) | CA1CA2CA9CA12CA14 | |
| SCHEMBL21756520 | 0.89 | CA1 (0.56) | CA1CA2CA9CA12CA14 | |
| SCHEMBL26430193 | 0.88 | LGALS3 (0.61) | CA1CA2CA9CA12CA14 | |
| SCHEMBL30005208 | 0.88 | CA1 (0.55) | CA1CA2CA9CA12CA14 | |
| Hydrochloric Acid SCHEMBL28383444 | 0.88 | CA1 (0.57) | CA1CA2CA9CA12CA14 | |
| SCHEMBL26089310 | 0.88 | CA1 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL23950484 | 0.87 | CA1 (0.54) | CA1CA2CA9CA12CA14 | |
| SCHEMBL29673981 | 0.87 | CA1 (0.54) | CA1CA2CA9CA12CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071585-B | Seleno galactoside compound for preventing and treating galectin related diseases and application thereof | 卡莱克汀科学有限责任公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-111527097-A | Seleno galactoside compounds for treating systemic insulin resistance disorder and uses thereof | 卡莱克汀科学有限责任公司 | 2020-08-11 | — | — | CN | disclosed |