Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CBX7 | O95931 | 1/20 | 0.31 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 1/20 | 0.30 |
| ▸ | MMP17 | Q9ULZ9 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.30 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540095 | 0.89 | PDE7A (0.45) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9539434 | 0.82 | PDE7A (0.38) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9538980 | 0.78 | PDE7A (0.48) | PDE7AAKR1B1AKR1A1IDO1CYP46A1 | |
| SCHEMBL9539429 | 0.72 | PDE7A (0.39) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9540091 | 0.69 | PDE7A (0.41) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9539039 | 0.69 | PDE7A (0.34) | PDE7AAKR1B1IDO1 | |
| SCHEMBL9542856 | 0.66 | PDE7A (0.46) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9542716 | 0.66 | PDE7A (0.43) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9539058 | 0.66 | PDE7A (0.48) | PDE7AAKR1B1AKR1A1IDO1CBX7 | |
| SCHEMBL9540124 | 0.65 | PDE7A (0.42) | PDE7AAKR1B1AKR1A1IDO1CBX7 |
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 |