Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.47 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539947 | 0.87 | PDE7A (0.45) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9541372 | 0.80 | AKR1B1 (0.45) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9539773 | 0.80 | PDE7A (0.48) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9540089 | 0.79 | ADAM17 (0.46) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9541703 | 0.78 | AKR1B1 (0.49) | PDE7AAKR1B1GAA | |
| SCHEMBL9540113 | 0.75 | PDE7A (0.52) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9539139 | 0.75 | PDE7A (0.43) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9539941 | 0.72 | AKR1B1 (0.39) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL9541570 | 0.70 | PDE7A (0.46) | PDE7AAKR1B1AKR1A1IDO1PGR | |
| SCHEMBL499563 | 0.69 | CES1 (0.35) | AKR1B1AKR1A1IDO1PGRTGM2 |
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 |