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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.75 |
| ▸ | ERBB2 | P04626 | 11/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | GAK | O14976 | 1/20 | 0.54 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6618381 | 0.85 | EGFR (0.70) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL4034279 | 0.85 | EGFR (0.80) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL4031937 | 0.85 | EGFR (0.80) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL4356341 | 0.85 | EGFR (0.79) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL4033589 | 0.84 | EGFR (0.77) | EGFRERBB2KCNH2ERBB4 | |
| SCHEMBL4205650 | 0.84 | EGFR (0.82) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL4029721 | 0.84 | EGFR (0.77) | EGFRERBB2KCNH2ERBB4 | |
| SCHEMBL4031989 | 0.84 | EGFR (0.74) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL4031651 | 0.83 | EGFR (0.92) | EGFRERBB2KCNH2GAKERBB4 | |
| SCHEMBL5486905 | 0.83 | EGFR (0.86) | EGFRERBB2KCNH2GAK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1444210-B1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |
| US-20070082921-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB | 2007-04-12 | — | — | US | disclosed |
| US-20050043336-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2005-02-24 | — | — | US | disclosed |
| EP-1444210-A1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | AstraZeneca AB (SE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040108-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2003-05-15 | — | — | 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-20050043336-A1 | Quinazoline derivatives as antitumor agents | ERBB2, ERBB3, ABL1 | EGFR 4/4885ERBB2 1/4885KCNH2 1510/4885 |
| US-20070082921-A1 | Quinazoline derivatives as antitumor agents | ERBB2, EGFR, ERBB4 | EGFR 2/4885ERBB2 1/4885KCNH2 1844/4885 |
“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.