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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.80 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 SCHEMBL21752943 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL25170206 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL5773333 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL9471981 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL445623 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL95302 | 0.95 | — | — | |
| Acetic Acid SCHEMBL23116337 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL21752948 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL25312642 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL21752845 | 0.90 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105401260-B | A kind of preparation method of strontium titanates nano-tube material | 浙江大学 | 2017-07-21 | — | — | CN | claimed |
| CN-105401260-A | Preparation method of strontium titanate nanotube material | UNIV ZHEJIANG | 2016-03-16 | — | — | CN | claimed |
| CN-105214638-A | A kind of photochemical catalyst SrO-ZnO and its preparation method and application | Fuyang normal college | 2016-01-06 | — | — | CN | claimed |
| CN-105401260-B | A kind of preparation method of strontium titanates nano-tube material | 浙江大学 | 2017-07-21 | — | — | CN | disclosed |
| CN-105401260-A | Preparation method of strontium titanate nanotube material | UNIV ZHEJIANG | 2016-03-16 | — | — | CN | disclosed |
| CN-105214638-A | A kind of photochemical catalyst SrO-ZnO and its preparation method and application | Fuyang normal college | 2016-01-06 | — | — | CN | disclosed |