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 | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 8/20 | 0.58 |
| ▸ | JAK2 | O60674 | 8/20 | 0.58 |
| ▸ | EGFR | P00533 | 4/20 | 0.58 |
| ▸ | JAK1 | P23458 | 5/20 | 0.51 |
| ▸ | BTK | Q06187 | 5/20 | 0.51 |
| ▸ | TYK2 | P29597 | 3/20 | 0.51 |
| ▸ | RET | P07949 | 4/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.49 |
| ▸ | INSR | P06213 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | ROS1 | P08922 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | FER | P16591 | 1/20 | 0.49 |
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 SCHEMBL4819297 | 1.00 | JAK3 (0.58) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL4818423 | 0.94 | JAK2 (0.56) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL4818418 | 0.94 | JAK2 (0.56) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL4818634 | 0.89 | JAK2 (0.54) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL4818639 | 0.82 | SRC (0.59) | JAK3JAK2EGFRJAK1BTK | |
| Acetic Acid SCHEMBL4818712 | 0.82 | BTK (0.71) | JAK3EGFRBTKRETLCK | |
| SCHEMBL4827998 | 0.78 | EGFR (0.77) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL27586636 | 0.78 | EGFR (0.77) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL13860290 | 0.78 | EGFR (0.77) | JAK3JAK2EGFRJAK1BTK | |
| SCHEMBL5819902 | 0.78 | JAK3 (0.40) | JAK3JAK2EGFRJAK1BTK |
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 10 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-1385524-A4 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2006-02-01 | — | — | EP | 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 |
| EP-1385524-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | Abbott GmbH & Co. KG (DE) | 2004-02-04 | — | — | EP | 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-2002080926-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO. KG (DE) | 2002-10-17 | — | — | WO | 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 (2 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-20040006083-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, UGT1A1, ABCB1 | JAK3 1336/4885JAK2 1515/4885EGFR 1992/4885 |
| US-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, CYP2D6, UGT1A1 | JAK3 1066/4885JAK2 1212/4885EGFR 2229/4885 |
“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.