Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acetone. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetamide SCHEMBL30416363 | 0.87 | BLM (0.50) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| Methyl Alcohol SCHEMBL7651538 | 0.85 | PTGS1 (0.53) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| SCHEMBL2622 | 0.84 | PTGS1 (0.60) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| SCHEMBL21777928 | 0.84 | PTGS1 (0.60) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| Acetone SCHEMBL28677361 | 0.84 | LMNA (0.41) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| SCHEMBL1065719 | 0.81 | PTGS1 (0.50) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| SCHEMBL2288880 | 0.81 | PTGS1 (0.56) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| SCHEMBL20607658 | 0.81 | PTGS1 (0.56) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| Hydrochloric Acid SCHEMBL14053301 | 0.81 | PTGS1 (0.56) | LMNAPTGS1PDE4ASLC6A6CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL5763087 | 0.81 | PTGS1 (0.56) | LMNAPTGS1PDE4ASLC6A6CYP2C19 |
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-1369418-B1 | QUINAZOLINE DERIVATIVES | MITSUBISHI TANABE PHARMA CORP (JP) | 2010-07-28 | — | — | EP | disclosed |
| US-20070265260-A1 | Quinazoline derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-11-15 | — | — | US | disclosed |
| US-7294629-B2 | Quinazoline derivatives | MITSUBISHI PHARMA CORPORATION (JP) | 2007-11-13 | — | — | US | disclosed |
| US-20040116422-A1 | Quinazoline derivatives | MITSUBISHI PHARMA CORPORATION (JP) | 2004-06-17 | — | — | US | disclosed |
| EP-1369418-A1 | QUINAZOLINE DERIVATIVES | Mitsubishi Pharma Corporation (JP) | 2003-12-10 | — | — | EP | 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-20070265260-A1 | Quinazoline derivatives | TYK2, ROR1, JAK1 | LMNA 2908/4885PTGS1 1639/4885PDE4A 1211/4885 |
“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.