Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.38 |
| ▸ | CBX7 | O95931 | 1/20 | 0.36 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.36 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.36 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539058 | 0.84 | PDE7A (0.48) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9542716 | 0.84 | PDE7A (0.43) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9541372 | 0.81 | AKR1B1 (0.45) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9540124 | 0.80 | PDE7A (0.42) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9539019 | 0.80 | PDE7A (0.40) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9538943 | 0.80 | PDE7A (0.47) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9540091 | 0.79 | PDE7A (0.41) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9539429 | 0.76 | PDE7A (0.39) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 | |
| SCHEMBL9539196 | 0.74 | PDE7A (0.49) | PDE7AAKR1B1IDO1AKR1A1 | |
| SCHEMBL9538980 | 0.73 | PDE7A (0.48) | PDE7AAKR1B1IDO1CYP46A1AKR1A1 |
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 |