Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Metioprim SCHEMBL193012 | 0.87 | DHFR (0.73) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Metioprim SCHEMBL30659007 | 0.87 | DHFR (0.73) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11582755 | 0.86 | DHFR (0.65) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Aditeren SCHEMBL1230789 | 0.86 | DHFR (0.81) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11257800 | 0.85 | SMN1; SMN2 (0.64) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Aditeren SCHEMBL10676774 | 0.85 | DHFR (0.79) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Aditeren SCHEMBL10677303 | 0.85 | DHFR (0.79) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11586900 | 0.84 | DHFR (0.59) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11590977 | 0.83 | MEN1 (0.60) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Trimethoprim SCHEMBL24506 | 0.82 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 |