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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 13/20 | 0.61 |
| ▸ | SRC | P12931 | 13/20 | 0.61 |
| ▸ | TEK | Q02763 | 13/20 | 0.61 |
| ▸ | EGFR | P00533 | 7/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.59 |
| ▸ | IGF1R | P08069 | 7/20 | 0.59 |
| ▸ | ERBB3 | P21860 | 7/20 | 0.59 |
| ▸ | ERBB4 | Q15303 | 7/20 | 0.59 |
| ▸ | KDR | P35968 | 4/20 | 0.56 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.55 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4828206 | 0.88 | EGFR (0.48) | LCKSRCTEKEGFRERBB2 | |
| SCHEMBL6431127 | 0.87 | LCK (0.79) | LCKSRCTEKEGFRERBB2 | |
| SCHEMBL6431132 | 0.87 | LCK (0.79) | LCKSRCTEKEGFRERBB2 | |
| Acetic Acid SCHEMBL6433384 | 0.85 | LCK (0.74) | LCKSRCTEKEGFRERBB2 | |
| Acetic Acid SCHEMBL6433394 | 0.85 | LCK (0.74) | LCKSRCTEKEGFRERBB2 | |
| SCHEMBL7133149 | 0.85 | LCK (0.68) | LCKSRCTEKEGFRERBB2 | |
| Acetic Acid SCHEMBL6430217 | 0.85 | SRC (0.57) | LCKSRCTEKEGFRERBB2 | |
| Acetic Acid SCHEMBL4828171 | 0.85 | LCK (0.61) | LCKSRCTEKEGFRERBB2 | |
| SCHEMBL6431055 | 0.84 | LCK (0.67) | LCKSRCTEKEGFRERBB2 | |
| SCHEMBL6431052 | 0.84 | LCK (0.67) | LCKSRCTEKEGFRERBB2 |
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 8 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 |
| EP-1379528-A4 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH (DE) | 2005-12-07 | — | — | EP | 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 |
| EP-1379528-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GmbH (DE) | 2004-01-14 | — | — | EP | 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 |
| WO-2002076986-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO. KG (DE) | 2002-10-03 | — | — | WO | 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 1/4885SRC 46/4885TEK 1465/4885 |
| US-20040006083-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, UGT1A1, ABCB1 | LCK 1534/4885SRC 2167/4885TEK 1218/4885 |
| 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.