Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9571194 | 0.83 | PDE7A (0.44) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL7191125 | 0.82 | CYP46A1 (0.43) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9539797 | 0.80 | PDE7A (0.46) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9146323 | 0.78 | PDE7A (0.51) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9571188 | 0.77 | PDE7A (0.45) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9201069 | 0.76 | AKR1B1 (0.43) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9571186 | 0.75 | PDE7A (0.46) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9199441 | 0.75 | PDE7A (0.43) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9285256 | 0.74 | PDE7A (0.43) | PDE7AAKR1B1CYP46A1MEN1KMT2A | |
| SCHEMBL9571197 | 0.74 | PTGDR2 (0.43) | MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995012583-A1 | NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1995-05-11 | — | — | WO | claimed |
| EP-0639184-A1 | NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO. INC. (US) | 1995-02-22 | — | — | EP | claimed |
| WO-1993022292-A1 | NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-11-11 | — | — | 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 |