Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6825659 | 0.98 | KDM4E (0.45) | KDM4EHSD17B10LMNACYP1A2CYP2C9 | |
| SCHEMBL6821932 | 0.89 | KDM4E (0.47) | KDM4EHSD17B10ALDH1A1HPGDTDP1 | |
| SCHEMBL6825056 | 0.81 | KDM4E (0.40) | KDM4EALDH1A1 | |
| SCHEMBL6825053 | 0.80 | TDP1 (0.51) | KDM4EALDH1A1TDP1 | |
| SCHEMBL6827408 | 0.79 | KDM4E (0.44) | KDM4EHSD17B10LMNACYP1A2CYP2C9 | |
| SCHEMBL6825657 | 0.77 | DHFR (0.41) | KDM4EHSD17B10LMNACYP1A2CYP2C9 | |
| SCHEMBL6827422 | 0.77 | KDM4E (0.48) | KDM4EHSD17B10LMNACYP1A2CYP2C9 | |
| SCHEMBL11646752 | 0.76 | DHFR (0.47) | — | |
| SCHEMBL6821942 | 0.75 | DHFR (0.48) | KDM4EHSD17B10LMNACYP1A2CYP2C9 | |
| SCHEMBL6825050 | 0.75 | KDM4E (0.44) | KDM4EHSD17B10LMNACYP1A2CYP2C9 |
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 |