Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 2/20 | 0.39 |
| ▸ | EDNRA | P25101 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539778 | 0.87 | PTGDR2 (0.45) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9540078 | 0.85 | PTGDR2 (0.49) | PTGDR2SCN9A | |
| SCHEMBL9540160 | 0.85 | PTGDR2 (0.46) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9540101 | 0.85 | PTGDR2 (0.46) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9539009 | 0.85 | PTGDR2 (0.46) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9539940 | 0.84 | PTGDR2 (0.43) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9542778 | 0.84 | PTGDR2 (0.47) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9539935 | 0.84 | PTGDR2 (0.44) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9540137 | 0.83 | PTGDR2 (0.47) | PTGDR2SCN9AOPRL1 | |
| SCHEMBL9540149 | 0.82 | PTGDR2 (0.48) | PTGDR2SCN9AOPRL1 |
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 |