Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.45 |
| ▸ | PGR | P06401 | 7/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CBX7 | O95931 | 1/20 | 0.32 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.32 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.32 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539139 | 0.76 | PDE7A (0.43) | AKR1B1PGRCHRNB2CHRNA4RPS6KA3 | |
| SCHEMBL9540131 | 0.74 | AKR1B1 (0.44) | AKR1B1PGRRPS6KA3IDO1NR3C2 | |
| SCHEMBL9539026 | 0.74 | PTGDR2 (0.43) | CHRNB2CHRNA4 | |
| SCHEMBL9539975 | 0.71 | AKR1B1 (0.49) | AKR1B1PGRIDO1PDE7ACBX7 | |
| SCHEMBL9538999 | 0.71 | AKR1B1 (0.49) | AKR1B1PGRIDO1PDE7ATSHR | |
| SCHEMBL9540123 | 0.70 | PGR (0.43) | AKR1B1PGRIDO1 | |
| SCHEMBL9539722 | 0.70 | AKR1B1 (0.50) | AKR1B1PGRIDO1TSHRHTR7 | |
| SCHEMBL9539047 | 0.69 | AKR1B1 (0.48) | AKR1B1PGRIDO1HTR7 | |
| SCHEMBL2471238 | 0.67 | MAPT (0.36) | AKR1B1PGRIDO1HTR7 | |
| SCHEMBL9540109 | 0.66 | TP53 (0.43) | CBX7CDYL |
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 |