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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.70 |
| ▸ | LCK | P06239 | 1/20 | 0.70 |
| ▸ | FYN | P06241 | 1/20 | 0.70 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 SCHEMBL26969214 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL9806973 | 0.95 | — | — | |
| Acetic Acid SCHEMBL10385154 | 0.95 | — | — | |
| Acetic Acid SCHEMBL9516924 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL16431962 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL9136601 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL27623470 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL3714199 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL20137312 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL10704268 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNCA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723854-B2 | PREPARING INTERMEDIATES FOR EPITHILONE A AND B, DESOXYEPOTHILONE A AND B, AND ANALOGUES THEREOF; HALOALKADIENYL THIAZOLES, THE ALDEHYDE INTERMEDIATES; PHOSPHORUS HALOMETHYLENE TRANSFER AGENT | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2004-04-20 | — | — | US | disclosed |
| US-20040044221-A1 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-03-04 | — | — | US | 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-20040044221-A1 | Synthesis of epothilones, intermediates thereto, analogues and uses thereof | DHPS, PPOX, DOHH | FFAR3 3752/4885LCK 3934/4885FYN 4326/4885 |
“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.