Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539040 | 0.79 | PDE7A (0.47) | PDE7AAKR1B1AKR1A1HTR2AMGAM | |
| SCHEMBL21940203 | 0.77 | PDE7A (0.50) | PDE7AAKR1B1AKR1A1MAPTHTR2A | |
| SCHEMBL9539058 | 0.72 | PDE7A (0.48) | PDE7AAKR1B1AKR1A1ALDH1A1AKR1C3 | |
| SCHEMBL9146323 | 0.72 | PDE7A (0.51) | PDE7AAKR1B1AKR1A1MAPTHTR2A | |
| SCHEMBL9538980 | 0.72 | PDE7A (0.48) | PDE7AAKR1B1AKR1A1PGRCA12 | |
| SCHEMBL9539767 | 0.72 | AKR1B1 (0.48) | PDE7AAKR1B1MAPTHTR2AMGAM | |
| SCHEMBL9540089 | 0.71 | ADAM17 (0.46) | PDE7AAKR1B1AKR1A1MAPTADAM17 | |
| SCHEMBL9542856 | 0.70 | PDE7A (0.46) | PDE7AAKR1B1AKR1A1HTR7AKR1C3 | |
| SCHEMBL9542760 | 0.70 | ADAM17 (0.45) | PDE7AAKR1B1AKR1A1ADAM17 | |
| SCHEMBL9542686 | 0.70 | ADAM17 (0.48) | PDE7AAKR1B1AKR1A1MAPTADAM17 |
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 |