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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.67 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | CA4 | P22748 | 3/20 | 0.57 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 SCHEMBL3385406 | 0.96 | CA1 (0.73) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL431679 | 0.96 | — | — | |
| Acetic Acid SCHEMBL10692821 | 0.96 | CA1 (0.73) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL9357712 | 0.96 | CA1 (0.73) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL17106537 | 0.96 | CA1 (0.73) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL27281679 | 0.92 | CA1 (0.67) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL28377384 | 0.92 | CA1 (0.67) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL28144234 | 0.92 | CA1 (0.67) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL29023792 | 0.92 | CA1 (0.75) | CA1FFAR3LCKFYNCA4 | |
| Acetic Acid SCHEMBL20270616 | 0.92 | CA1 (0.67) | CA1FFAR3LCKFYNCA4 |
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-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | claimed |