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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.46 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13948754 | 0.90 | SRD5A1 (0.49) | SRD5A1CAMK2APDK1PDK2PDK3 | |
| SCHEMBL10024954 | 0.90 | SRD5A1 (0.49) | SRD5A1CAMK2APDK1PDK2PDK3 | |
| SCHEMBL25831640 | 0.90 | SRD5A1 (0.49) | SRD5A1CAMK2APDK1PDK2PDK3 | |
| SCHEMBL30558606 | 0.80 | HTR2C (0.44) | SRD5A1CAMK2AHTR2AHTR2CHTR2B | |
| SCHEMBL12270104 | 0.80 | HTR2C (0.44) | SRD5A1CAMK2AHTR2AHTR2CHTR2B | |
| SCHEMBL7862458 | 0.77 | CAMK2A (0.48) | SRD5A1CAMK2ASRD5A2TRPV1EDNRB | |
| SCHEMBL1530402 | 0.77 | CAMK2A (0.48) | SRD5A1CAMK2ASRD5A2TRPV1EDNRB | |
| SCHEMBL24593559 | 0.75 | HTR2A (0.64) | SRD5A1HTR2AHTR2CHTR2BSLC6A4 | |
| SCHEMBL3364642 | 0.75 | HTR2A (0.64) | SRD5A1HTR2AHTR2CHTR2BSLC6A4 | |
| SCHEMBL25347 | 0.75 | CA12 (0.63) | SRD5A1CAMK2AHTR2AHTR2BTRPV1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102746239-B | Uracil or thymine derivatives for the treatment of hepatitis C | ABBVIE INC. (BS) | 2016-02-10 | — | — | CN | disclosed |
| CN-104628655-A | ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF | ABBVIE BAHAMAS LTD | 2015-05-20 | — | — | CN | disclosed |
| CN-104628654-A | ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF | ABBVIE BAHAMAS LTD | 2015-05-20 | — | — | CN | disclosed |
| CN-101842360-B | Anti-infective pyrimidines and uses thereof | ABBVIE BAHAMAS LTD | 2014-12-17 | — | — | CN | disclosed |
| CN-102746239-A | Uracil or thymine derivatives for the treatment of hepatitis C | ABBOTT LAB | 2012-10-24 | — | — | CN | disclosed |
| CN-102746240-A | Anti-infective pyrimidines and uses thereof | ABBOTT LAB | 2012-10-24 | — | — | CN | disclosed |
| CN-101842360-A | Anti-infective pyrimidines and uses thereof | ABBOTT LAB | 2010-09-22 | — | — | CN | disclosed |
| CN-101801935-A | Uracil or thymine derivatives for the treatment of hepatitis C | ABBOTT LAB | 2010-08-11 | — | — | CN | disclosed |