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 | 1/20 | 0.32 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 10/20 | 0.37 |
| ▸ | FGFR4 | P22455 | 8/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.37 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | FYN | P06241 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14290437 | 0.98 | EGFR (0.38) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL4686754 | 0.98 | EGFR (0.38) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| Acetic Acid SCHEMBL4686845 | 0.90 | FGFR4 (0.38) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL6706766 | 0.90 | EGFR (0.38) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL4686791 | 0.90 | FGFR4 (0.39) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL4689937 | 0.90 | FGFR4 (0.40) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL6212461 | 0.89 | EGFR (0.38) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL4690757 | 0.88 | FGFR4 (0.39) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| SCHEMBL4686694 | 0.86 | FGFR4 (0.39) | EGFRFGFR4PDGFRBFGFR1PDGFRA | |
| Acetic Acid SCHEMBL4686691 | 0.85 | EGFR (0.42) | EGFRFGFR4PDGFRBFGFR1PDGFRA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7084270-B2 | Pyrimido compounds having antiproliferative activity | HOFFMAN-LA ROCHE INC. (US) | 2006-08-01 | — | — | US | claimed |
| US-20040038995-A1 | Pyrimido compounds having antiproliferative activity | CHEN YI (US) | 2004-02-26 | — | — | US | claimed |
| EP-1556384-B1 | PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY | HOFFMANN LA ROCHE (CH) | 2008-02-20 | — | — | EP | disclosed |
| US-7084270-B2 | Pyrimido compounds having antiproliferative activity | HOFFMAN-LA ROCHE INC. (US) | 2006-08-01 | — | — | US | disclosed |
| EP-1556384-A2 | PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004018472-A2 | PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-04 | — | — | WO | disclosed |
| US-20040038995-A1 | Pyrimido compounds having antiproliferative activity | CHEN YI (US) | 2004-02-26 | — | — | 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 (1 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-20040038995-A1 | Pyrimido compounds having antiproliferative activity | LCK, FGFR1, FGFR3 | ESR1 921/4885ESR2 1805/4885EGFR 45/4885 |
“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.