Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10678576 | 0.86 | NPSR1 (0.48) | NPSR1ALDH1A1CYP2D6ATM | |
| SCHEMBL11821666 | 0.85 | DHFR (0.57) | ALDH1A1 | |
| SCHEMBL11166121 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CYP2D6ATM | |
| SCHEMBL11831045 | 0.81 | DHFR (0.58) | NPSR1ALDH1A1CYP2D6ATM | |
| SCHEMBL11859276 | 0.80 | DHFR (0.46) | NPSR1ALDH1A1CYP2D6ATM | |
| SCHEMBL11352309 | 0.80 | NPSR1 (0.42) | NPSR1ALDH1A1CYP2D6ATM | |
| SCHEMBL12496384 | 0.77 | HSP90AA1 (0.54) | NPSR1ALDH1A1 | |
| Metioprim SCHEMBL193012 | 0.75 | DHFR (0.73) | ALDH1A1 | |
| Metioprim SCHEMBL30659007 | 0.75 | DHFR (0.73) | ALDH1A1 | |
| SCHEMBL11548085 | 0.73 | DHFR (0.65) | ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0032395-B1 | BENZYLPYRIMIDINES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-03-23 | — | — | EP | claimed |
| EP-0032395-A1 | Benzylpyrimidines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-07-22 | — | — | EP | claimed |
| EP-0032395-B1 | BENZYLPYRIMIDINES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-03-23 | — | — | EP | disclosed |
| EP-0003212-B1 | 2.4-DIAMINO-5-BENZYLPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-17 | — | — | EP | disclosed |
| EP-0032395-A1 | Benzylpyrimidines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-07-22 | — | — | EP | disclosed |
| EP-0003212-A1 | 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-08-08 | — | — | EP | disclosed |