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 | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 16/20 | 0.70 |
| ▸ | SRC | P12931 | 10/20 | 0.68 |
| ▸ | TEK | Q02763 | 4/20 | 0.68 |
| ▸ | KDR | P35968 | 5/20 | 0.58 |
| ▸ | ABL1 | P00519 | 5/20 | 0.58 |
| ▸ | EGFR | P00533 | 5/20 | 0.58 |
| ▸ | HCK | P08631 | 5/20 | 0.58 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.58 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.58 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.58 |
| ▸ | MTOR | P42345 | 4/20 | 0.58 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.58 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.58 |
| ▸ | PRKDC | P78527 | 4/20 | 0.58 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.58 |
| ▸ | FYN | P06241 | 3/20 | 0.57 |
| ▸ | PLK4 | O00444 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | PAK4 | O96013 | 1/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4828143 | 0.98 | LCK (0.72) | LCKSRCTEKKDRABL1 | |
| Acetic Acid SCHEMBL4818614 | 0.95 | LCK (0.69) | LCKSRCTEKKDRABL1 | |
| Acetic Acid SCHEMBL4818363 | 0.95 | LCK (0.76) | LCKSRCTEKKDRABL1 | |
| SCHEMBL4826959 | 0.94 | LCK (0.72) | LCKSRCTEKKDRABL1 | |
| Acetic Acid SCHEMBL4827993 | 0.93 | LCK (0.72) | LCKSRCTEKKDRABL1 | |
| Acetic Acid SCHEMBL4824651 | 0.93 | LCK (0.67) | LCKSRCTEKKDRABL1 | |
| SCHEMBL4826334 | 0.92 | LCK (0.72) | LCKSRCTEKKDRABL1 | |
| SCHEMBL4828012 | 0.92 | LCK (0.76) | LCKSRCTEKKDRABL1 | |
| SCHEMBL4826588 | 0.92 | LCK (0.72) | LCKSRCTEKKDRABL1 | |
| Acetic Acid SCHEMBL4826430 | 0.92 | LCK (0.66) | LCKSRCTEKKDRABL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | ABBOTT LABORATORIES (US) | 2002-10-24 | — | — | 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-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, CYP2D6, UGT1A1 | LCK 1011/4885SRC 1834/4885TEK 1657/4885 |
“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.