Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 15/20 | 1.00 |
| ▸ | SLC2A1 | P11166 | 7/20 | 0.80 |
| ▸ | F2R | P25116 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9568525 | 0.99 | DHFR (0.98) | DHFRSLC2A1F2R | |
| SCHEMBL9568589 | 0.90 | DHFR (1.00) | DHFRSLC2A1 | |
| SCHEMBL9568782 | 0.89 | DHFR (1.00) | DHFRSLC2A1 | |
| SCHEMBL9568613 | 0.88 | DHFR (0.79) | DHFRSLC2A1 | |
| SCHEMBL9568502 | 0.86 | DHFR (0.80) | DHFRSLC2A1F2R | |
| SCHEMBL9568494 | 0.86 | DHFR (1.00) | DHFRSLC2A1 | |
| SCHEMBL31061676 | 0.86 | DHFR (1.00) | DHFRSLC2A1 | |
| SCHEMBL9540737 | 0.86 | DHFR (0.76) | DHFRSLC2A1F2R | |
| SCHEMBL9568634 | 0.84 | DHFR (1.00) | DHFRSLC2A1 | |
| SCHEMBL9568697 | 0.79 | DHFR (0.85) | DHFRSLC2A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1073175-A | Heterogeneous ring compound | WELLCOME FOUND (GB) | 1993-06-16 | — | — | CN | claimed |
| EP-0542497-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-19 | — | — | EP | claimed |
| CN-1073175-A | Heterogeneous ring compound | WELLCOME FOUND (GB) | 1993-06-16 | — | — | CN | disclosed |
| WO-1993010119-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-27 | — | — | WO | disclosed |
| EP-0542497-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-19 | — | — | EP | disclosed |