Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540146 | 0.88 | PTGDR2 (0.42) | PTGDR2SCN9ASIGMAR1CMA1HDAC1 | |
| SCHEMBL9539761 | 0.86 | PTGDR2 (0.41) | PTGDR2SCN9ASIGMAR1CMA1HDAC1 | |
| SCHEMBL9540043 | 0.85 | PTGDR2 (0.47) | PTGDR2SCN9ACMA1OPRL1 | |
| SCHEMBL9539049 | 0.82 | PTGDR2 (0.43) | PTGDR2SCN9ACMA1OPRL1 | |
| SCHEMBL9540129 | 0.80 | PTGDR2 (0.43) | PTGDR2SCN9ACMA1OPRL1OPRM1 | |
| SCHEMBL9540045 | 0.79 | PTGDR2 (0.45) | PTGDR2SCN9ACMA1OPRL1OPRM1 | |
| SCHEMBL9542702 | 0.79 | PTGDR2 (0.46) | PTGDR2SCN9ACMA1OPRL1HDAC1 | |
| SCHEMBL9540141 | 0.78 | PTGDR2 (0.47) | PTGDR2SCN9ACMA1OPRL1HDAC1 | |
| SCHEMBL9541585 | 0.78 | PTGDR2 (0.45) | PTGDR2SCN9ACMA1OPRL1 | |
| SCHEMBL9539749 | 0.78 | PTGDR2 (0.43) | PTGDR2SCN9ACMA1OPRL1OPRM1 |
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 |