Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | 0.99 | DHFR (0.48) | KDM4ELMNACYP1A2CYP2C9HSD17B10 | |
| SCHEMBL6827444 | 0.90 | TDP1 (0.49) | KDM4EHSD17B10DHFRMAPT | |
| SCHEMBL6827375 | 0.84 | DHFR (0.47) | DHFRMAPT | |
| SCHEMBL6748619 | 0.83 | DHFR (0.52) | DHFR | |
| SCHEMBL6827626 | 0.83 | TDP1 (0.56) | KDM4EDHFRMAPT | |
| SCHEMBL6747477 | 0.82 | DHFR (0.51) | DHFR | |
| SCHEMBL6750825 | 0.80 | DHFR (0.49) | DHFR | |
| SCHEMBL6827408 | 0.80 | KDM4E (0.44) | KDM4ELMNACYP1A2CYP2C9HSD17B10 | |
| SCHEMBL6744730 | 0.79 | DHFR (0.50) | DHFR | |
| SCHEMBL6825657 | 0.78 | DHFR (0.41) | KDM4ELMNACYP1A2CYP2C9HSD17B10 |
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 |