Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | CBX7 | O95931 | 1/20 | 0.37 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539002 | 0.82 | SCN9A (0.47) | TP53MAPTSCN9AADAMTS5MDM2 | |
| SCHEMBL9539179 | 0.79 | ADAMTS5 (0.42) | TP53MAPTSCN9AADAMTS5MDM2 | |
| SCHEMBL2471238 | 0.79 | MAPT (0.36) | MAPTOPRM1 | |
| SCHEMBL9540123 | 0.71 | PGR (0.43) | MAPT | |
| SCHEMBL4594261 | 0.70 | AKR1B1 (0.43) | MAPTCBX7CDYL | |
| SCHEMBL27311876 | 0.69 | MDM2 (0.55) | TP53MAPTSCN9AMDM2 | |
| SCHEMBL2470313 | 0.69 | ELOVL6 (0.38) | MAPT | |
| SCHEMBL2471611 | 0.69 | ELOVL6 (0.43) | SCN9AADAMTS5MDM2CBX7CDYL | |
| SCHEMBL9539054 | 0.69 | PTGDR2 (0.48) | TP53MAPTSCN9APTGDR2 | |
| SCHEMBL2470308 | 0.69 | MAPT (0.36) | MAPTPTGDR2OPRM1 |
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 |