Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 12/20 | 0.35 |
| ▸ | FSHR | P23945 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | PRKX | P51817 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | TAOK1 | Q7L7X3 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539767 | 0.85 | AKR1B1 (0.48) | BRD4AKR1B1 | |
| SCHEMBL9539078 | 0.85 | AKR1B1 (0.48) | BRD4AKR1B1PKMBACE1 | |
| SCHEMBL9542879 | 0.84 | AKR1B1 (0.46) | BRD4AKR1B1PKM | |
| SCHEMBL9539832 | 0.81 | AKR1B1 (0.51) | BRD4AKR1B1NR1H2NR1H3 | |
| SCHEMBL9540059 | 0.71 | PGR (0.40) | AKR1B1 | |
| SCHEMBL9542678 | 0.70 | AKR1B1 (0.38) | AKR1B1 | |
| SCHEMBL9539751 | 0.69 | AKR1B1 (0.38) | AKR1B1 | |
| SCHEMBL9538989 | 0.68 | AKR1B1 (0.44) | AKR1B1 | |
| SCHEMBL9540206 | 0.67 | AKR1B1 (0.33) | AKR1B1 | |
| SCHEMBL9540131 | 0.66 | AKR1B1 (0.44) | AKR1B1 |
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 |