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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 SCHEMBL7580002 | 0.95 | CA1 (0.42) | CA1ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL7529535 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1TSHRTP53 | |
| SCHEMBL1438 | 0.89 | — | — | |
| Bicarbonate SCHEMBL9547387 | 0.87 | ALDH1A1 (0.35) | CA1ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL25416150 | 0.86 | — | — | |
| Ethylene SCHEMBL10382764 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1TSHRTP53 | |
| SCHEMBL1919359 | 0.86 | — | — | |
| SCHEMBL11779415 | 0.86 | — | — | |
| Ethylene SCHEMBL5527 | 0.86 | — | — | |
| SCHEMBL1919431 | 0.86 | — | — |
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-1388060-A | 2.4mm coal-carrier active carbon and its use | YINCHUAN ACTIVE CARBON PLANT (CN) | 2003-01-01 | — | — | CN | disclosed |