Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 7/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 6/20 | 0.37 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9542686 | 0.70 | ADAM17 (0.48) | PDE7AADAM17ADAMTS5MMP13MMP2 | |
| SCHEMBL9540089 | 0.69 | ADAM17 (0.46) | PDE7AADAM17ADAMTS5MMP13MMP2 | |
| SCHEMBL14782919 | 0.68 | MMP2 (0.56) | ADAM17MMP13MMP2CYP24A1 | |
| SCHEMBL11677203 | 0.68 | ALDH1A1 (0.43) | ADAM17ADAMTS5MMP13MMP2CYP24A1 | |
| SCHEMBL21940203 | 0.65 | PDE7A (0.50) | PDE7AADAM17MAPT | |
| SCHEMBL11207479 | 0.64 | LMNA (0.44) | MAPT | |
| SCHEMBL18137791 | 0.64 | PSMD10 (0.41) | CYP24A1MAPT | |
| SCHEMBL483847 | 0.64 | ALDH1A1 (0.50) | CYP24A1 | |
| SCHEMBL890725 | 0.64 | ALDH1A1 (0.50) | CYP24A1 | |
| SCHEMBL7723972 | 0.63 | CNR2 (0.54) | MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |