Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 5/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 5/20 | 0.39 |
| ▸ | MMP2 | P08253 | 3/20 | 0.39 |
| ▸ | MMP13 | P45452 | 3/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539139 | 0.81 | PDE7A (0.43) | ADAM17PDE7AAKR1B1MMP2MMP3 | |
| SCHEMBL9542686 | 0.79 | ADAM17 (0.48) | ADAM17PDE7AAKR1B1ADAMTS5MMP2 | |
| SCHEMBL9542760 | 0.79 | ADAM17 (0.45) | ADAM17PDE7AAKR1B1ADAMTS5MMP2 | |
| SCHEMBL9540154 | 0.79 | PDE7A (0.50) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9541372 | 0.73 | AKR1B1 (0.45) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9539773 | 0.73 | PDE7A (0.48) | ADAM17PDE7AAKR1B1ADAMTS5MMP2 | |
| SCHEMBL21940203 | 0.73 | PDE7A (0.50) | ADAM17PDE7AAKR1B1AKR1A1IDO1 | |
| SCHEMBL9539809 | 0.71 | PDE7A (0.48) | ADAM17PDE7AAKR1B1AKR1A1PGR | |
| SCHEMBL9539947 | 0.71 | PDE7A (0.45) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL2471238 | 0.70 | MAPT (0.36) | AKR1B1IDO1PGRMAPT |
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 |