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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 9/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL276645 | 0.89 | EGFR (0.60) | EGFRARPIK3CDPIK3CAFGFR4 | |
| Hydrochloric Acid SCHEMBL27897677 | 0.86 | EGFR (0.56) | EGFRARPIK3CDPIK3CAFGFR4 | |
| Quinazoline SCHEMBL3128567 | 0.77 | EGFR (0.74) | EGFRPIK3CDPIK3CAIMPDH2MAP4K4 | |
| Hydroquinone SCHEMBL8878778 | 0.76 | EGFR (0.52) | EGFRPIK3CDPIK3CAFGFR4ESR2 | |
| SCHEMBL29906862 | 0.76 | EGFR (0.53) | EGFRARPIK3CDPIK3CAESR2 | |
| SCHEMBL296338 | 0.76 | EGFR (0.53) | EGFRARPIK3CDPIK3CAESR2 | |
| SCHEMBL277541 | 0.74 | EGFR (0.60) | EGFRPIK3CDPIK3CAESR2IMPDH2 | |
| SCHEMBL535665 | 0.74 | EGFR (0.64) | EGFRARPIK3CDPIK3CAFGFR4 | |
| Hydrochloric Acid SCHEMBL30406782 | 0.73 | EGFR (0.62) | EGFRARPIK3CDPIK3CAFGFR4 | |
| SCHEMBL27881436 | 0.73 | EGFR (0.62) | EGFRARPIK3CDPIK3CAFGFR4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160207938-A1 | QUINAZOLINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2016-07-21 | — | — | US | disclosed |
| CN-103130729-B | Preparation method of 4-chloro-7-methoxyl quinazoline-6-alchol acetate | QILU PHARMACEUTICAL CO LTD | 2015-07-15 | — | — | CN | disclosed |
| CN-103130729-A | Preparation method of 4-chloro-7-methoxyl quinazoline-6-alchol acetate | QILU PHARMACEUTICAL CO LTD | 2013-06-05 | — | — | CN | disclosed |
| US-8394786-B2 | Quinazoline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2013-03-12 | — | — | US | disclosed |
| US-20100105668-A1 | Quinazoline derivatives | FREYNE EDDY JEAN EDGARD | 2010-04-29 | — | — | US | disclosed |
| US-7648975-B2 | Macrocyclic quinazoline derivatives as antiproliferative agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-01-19 | — | — | US | disclosed |
| US-20060247237-A1 | Macrocyclic quinazoline derivatives as antiproliferative agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-02 | — | — | US | disclosed |
| EP-1633365-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004105765-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-12-09 | — | — | 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-20060247237-A1 | Macrocyclic quinazoline derivatives as antiproliferative agents | NR1H3, NR1H2, NCOA3 | ESR1 260/4885ESR2 92/4885EGFR 684/4885 |
| US-20100105668-A1 | Quinazoline derivatives | NR1H2, NR1H3, NR3C2 | ESR1 100/4885ESR2 40/4885EGFR 1789/4885 |
| US-20160207938-A1 | QUINAZOLINE DERIVATIVES | NR1H2, NR1H3, NR3C2 | ESR1 138/4885ESR2 57/4885EGFR 1503/4885 |
“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.