Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.38 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9571179 | 0.88 | PDE7A (0.40) | PDE7AAKR1B1CYP46A1 | |
| SCHEMBL9571186 | 0.88 | PDE7A (0.46) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL9571188 | 0.85 | PDE7A (0.45) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL9288514 | 0.82 | PDE7A (0.40) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL9199441 | 0.81 | PDE7A (0.43) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL9539797 | 0.79 | PDE7A (0.46) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL27432210 | 0.79 | CYP46A1 (0.31) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL29624115 | 0.78 | PDE7A (0.41) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL7402060 | 0.78 | PDE7A (0.41) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 | |
| SCHEMBL7402059 | 0.78 | PDE7A (0.41) | PDE7AAKR1B1CYP46A1NR1I2NR3C1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995012583-A1 | NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1995-05-11 | — | — | WO | claimed |
| EP-0569083-A1 | New quinazolines as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-11-10 | — | — | EP | claimed |
| EP-0569083-A1 | New quinazolines as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-11-10 | — | — | EP | disclosed |