Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10681710 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CYP2D6ATMMEN1SLC22A1 | |
| SCHEMBL11763535 | 0.85 | DHFR (0.57) | ALDH1A1MEN1SLC22A1DHFRCYP3A4 | |
| SCHEMBL11166554 | 0.84 | NPSR1 (0.44) | ALDH1A1CYP2D6ATM | |
| SCHEMBL11757871 | 0.81 | DHFR (0.58) | ALDH1A1CYP2D6ATMDHFR | |
| SCHEMBL11345033 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2D6ATMMEN1SLC22A1 | |
| SCHEMBL11859958 | 0.80 | DHFR (0.43) | ALDH1A1CYP2D6ATMDHFR | |
| SCHEMBL11112696 | 0.79 | MEN1 (0.44) | ALDH1A1MEN1SLC22A1DHFRCYP3A4 | |
| SCHEMBL11112703 | 0.79 | — | — | |
| Metioprim SCHEMBL193012 | 0.75 | DHFR (0.73) | ALDH1A1MEN1SLC22A1DHFRCYP3A4 | |
| Metioprim SCHEMBL30659007 | 0.75 | DHFR (0.73) | ALDH1A1MEN1SLC22A1DHFRCYP3A4 |
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 4 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 | 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 |