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 | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 1/20 | 0.52 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 SCHEMBL16702080 | 0.97 | CRBN (0.50) | CRBNFFAR3LCKFYNLMNA | |
| Bicarbonate SCHEMBL2670830 | 0.88 | CRBN (0.43) | CRBNLMNABLMPMP22TSHR | |
| Biguanide SCHEMBL27508171 | 0.88 | FFAR3 (0.44) | CRBNFFAR3LCKFYNLMNA | |
| Biguanide SCHEMBL28444535 | 0.88 | FFAR3 (0.44) | CRBNFFAR3LCKFYNLMNA | |
| Biguanide SCHEMBL28833765 | 0.88 | FFAR3 (0.44) | CRBNFFAR3LCKFYNLMNA | |
| Bicarbonate SCHEMBL11151203 | 0.88 | CRBN (0.43) | CRBNLMNABLMPMP22TSHR | |
| Biguanide SCHEMBL27267801 | 0.88 | FFAR3 (0.44) | CRBNFFAR3LCKFYNLMNA | |
| SCHEMBL146394 | 0.88 | — | — | |
| Biguanide SCHEMBL28745920 | 0.86 | FFAR3 (0.41) | CRBNFFAR3LCKFYNLMNA | |
| Biguanide SCHEMBL27323407 | 0.86 | FFAR3 (0.41) | CRBNFFAR3LCKFYNLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101162231-A | High sensitive time resolved fluorescent immune analysis method for ethyl carbamate in wine | UNIV JIANGNAN (CN) | 2008-04-16 | — | — | CN | claimed |
| CN-101162231-A | High sensitive time resolved fluorescent immune analysis method for ethyl carbamate in wine | UNIV JIANGNAN (CN) | 2008-04-16 | — | — | CN | disclosed |
| CN-1044237-C | 4,1-benzoxazep in derivatives and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-07-21 | — | — | CN | disclosed |
| CN-1083481-A | 4,1-Benzoxazepine derivatives and its purposes | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-03-09 | — | — | CN | disclosed |