Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL6821942 | 0.84 | DHFR (0.48) | DHFRMAPT | |
| SCHEMBL6827422 | 0.84 | KDM4E (0.48) | DHFRMAPT | |
| SCHEMBL6827444 | 0.84 | TDP1 (0.49) | DHFRMAPT | |
| SCHEMBL6748619 | 0.83 | DHFR (0.52) | DHFR | |
| SCHEMBL6827626 | 0.83 | TDP1 (0.56) | DHFRMAPT | |
| SCHEMBL6747477 | 0.82 | DHFR (0.51) | DHFR | |
| SCHEMBL6750825 | 0.80 | DHFR (0.49) | DHFR | |
| SCHEMBL6744730 | 0.79 | DHFR (0.50) | DHFR | |
| SCHEMBL6821940 | 0.78 | DCPS (0.40) | DHFRMAPT | |
| SCHEMBL6747511 | 0.76 | DHFR (0.64) | DHFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004020417-A1 | 2,4-DIAMINOQUINAZOLINE, 2-AMINO-4-HYDROXYPTERIDINE AND 2,4-DIAMINOPYRIMIDINE ESTER DERIVATIVES AS DIHYDROFOLATE REDUCTASE INHIBITORS | MELACURE THERAPEUTICS AB (SE) | 2004-03-11 | — | — | WO | claimed |
| WO-2004020417-A1 | 2,4-DIAMINOQUINAZOLINE, 2-AMINO-4-HYDROXYPTERIDINE AND 2,4-DIAMINOPYRIMIDINE ESTER DERIVATIVES AS DIHYDROFOLATE REDUCTASE INHIBITORS | MELACURE THERAPEUTICS AB (SE) | 2004-03-11 | — | — | WO | disclosed |