Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL6825666 | 0.93 | MAPT (0.41) | MAPTL3MBTL1TDP1MEN1ALDH1A1 | |
| SCHEMBL6825657 | 0.85 | DHFR (0.41) | MAPTTDP1MEN1ALDH1A1DHFR | |
| SCHEMBL6821940 | 0.83 | DCPS (0.40) | MAPTTDP1MEN1ALDH1A1DHFR | |
| SCHEMBL6827408 | 0.83 | KDM4E (0.44) | MAPTTDP1MEN1ALDH1A1DHFR | |
| SCHEMBL6827525 | 0.78 | PTGS1 (0.45) | MAPTTDP1MEN1ALDH1A1DHFR | |
| SCHEMBL6827626 | 0.75 | TDP1 (0.56) | MAPTL3MBTL1TDP1DHFRKDM4E | |
| SCHEMBL6825053 | 0.75 | TDP1 (0.51) | MAPTL3MBTL1TDP1ALDH1A1DHFR | |
| Benzene SCHEMBL10481612 | 0.72 | DHFR (0.50) | MAPTTDP1MEN1ALDH1A1DHFR | |
| SCHEMBL16695948 | 0.72 | DHFR (0.52) | MAPTTDP1MEN1ALDH1A1DHFR | |
| SCHEMBL28638551 | 0.72 | TDP1 (0.56) | MAPTL3MBTL1TDP1MEN1ALDH1A1 |
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 |