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 | 17/20 | 0.86 |
| ▸ | FYN | P06241 | 2/20 | 0.70 |
| ▸ | BTK | Q06187 | 1/20 | 0.58 |
| ▸ | SRC | P12931 | 7/20 | 0.58 |
| ▸ | TEK | Q02763 | 4/20 | 0.58 |
| ▸ | RET | P07949 | 1/20 | 0.55 |
| ▸ | ABL1 | P00519 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | HCK | P08631 | 2/20 | 0.53 |
| ▸ | PLK4 | O00444 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | PAK4 | O96013 | 1/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.53 |
| ▸ | INSR | P06213 | 1/20 | 0.53 |
| ▸ | CSF1R | P07333 | 1/20 | 0.53 |
| ▸ | LYN | P07948 | 1/20 | 0.53 |
| ▸ | FGR | P09769 | 1/20 | 0.53 |
| ▸ | FLT1 | P17948 | 1/20 | 0.53 |
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 SCHEMBL4824731 | 0.95 | LCK (0.96) | LCKFYNBTKSRCTEK | |
| SCHEMBL4826535 | 0.93 | LCK (1.00) | LCKFYNBTKSRCTEK | |
| Acetic Acid SCHEMBL4820355 | 0.92 | LCK (0.74) | LCKFYNBTKSRCTEK | |
| Acetic Acid SCHEMBL4828282 | 0.90 | LCK (0.78) | LCKFYNBTKSRCTEK | |
| SCHEMBL4825884 | 0.89 | LCK (0.76) | LCKFYNBTKSRCTEK | |
| SCHEMBL14268404 | 0.89 | LCK (0.83) | LCKFYNBTKSRCTEK | |
| Acetic Acid SCHEMBL4822934 | 0.88 | LCK (0.75) | LCKFYNSRCTEKABL1 | |
| Acetic Acid SCHEMBL4828182 | 0.87 | LCK (0.74) | LCKFYNBTKSRCTEK | |
| Acetic Acid SCHEMBL4827550 | 0.87 | LCK (0.73) | LCKFYNSRCTEKABL1 | |
| SCHEMBL4826418 | 0.86 | LCK (0.79) | LCKFYNBTKSRCTEK |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332497-B2 | As inhibitors of protein kinases | ABBOTT GMBH & CO KG (DE) | 2008-02-19 | — | — | US | disclosed |
| US-6921763-B2 | Pyrazolopyrimidines as therapeutic agents | ABBOTT LABORATORIES (US) | 2005-07-26 | — | — | US | disclosed |
| US-20050008640-A1 | Method of treating transplant rejection | ABBOTT LABORATORIES | 2005-01-13 | — | — | US | disclosed |
| US-20040006083-A1 | Pyrazolopyrimidines as therapeutic agents | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2004-01-08 | — | — | US | disclosed |
| 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 (3 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-20050008640-A1 | Method of treating transplant rejection | LCK, ZAP70, FYN | LCK 1/4885FYN 3/4885BTK 42/4885 |
| US-20040006083-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, UGT1A1, ABCB1 | LCK 1534/4885FYN 1116/4885BTK 1399/4885 |
| US-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, CYP2D6, UGT1A1 | LCK 1011/4885FYN 896/4885BTK 1020/4885 |
“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.