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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
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 SCHEMBL4989332 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL590853 | 1.00 | — | — | |
| Acetic Acid SCHEMBL8740499 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL211103 | 1.00 | — | — | |
| Acetic Acid SCHEMBL16004804 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL15658788 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL4986972 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL11256435 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL15657988 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL28125177 | 1.00 | FFAR3 (0.58) | FFAR3LCKFYNLMNATSHR |
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-101305018-B | Process and intermediates for the synthesis of caspofungin | SANDOZ AG | 2013-03-27 | — | — | CN | disclosed |
| EP-1951747-B1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF CASPOFUNGIN | SANDOZ AG (CH) | 2009-07-01 | — | — | EP | disclosed |
| US-20080319162-A1 | Process and Intermediates for the Synthesis of Caspofungin | SANDOZ AG (CH) | 2008-12-25 | — | — | US | disclosed |
| EP-1951747-A1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF CASPOFUNGIN | Sandoz AG (CH) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007057141-A1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF CASPOFUNGIN | SANDOZ AG (CH) | 2007-05-24 | — | — | WO | disclosed |
| EP-1785432-A1 | Process and intermediates for the synthesis of caspofungin. | Sandoz AG (CH) | 2007-05-16 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080319162-A1 | Process and Intermediates for the Synthesis of Caspofungin | CASP1, CASP14, CYP51A1 | FFAR3 3921/4885LCK 3723/4885FYN 3294/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.