Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.73 |
| ▸ | SLC2A1 | P11166 | 8/20 | 0.72 |
| ▸ | F2R | P25116 | 4/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9568513 | 0.86 | SLC2A1 (0.81) | DHFRSLC2A1F2R | |
| SCHEMBL9568542 | 0.85 | DHFR (1.00) | DHFRSLC2A1F2R | |
| SCHEMBL9568566 | 0.84 | SLC2A1 (1.00) | DHFRSLC2A1F2R | |
| SCHEMBL9568734 | 0.84 | SLC2A1 (1.00) | DHFRSLC2A1F2R | |
| Water SCHEMBL9568544 | 0.83 | DHFR (0.97) | DHFRSLC2A1F2R | |
| SCHEMBL9568740 | 0.82 | SLC2A1 (0.97) | DHFRSLC2A1F2R | |
| SCHEMBL24165303 | 0.82 | DHFR (0.61) | DHFRSLC2A1F2R | |
| SCHEMBL26324789 | 0.82 | DHFR (0.61) | DHFRSLC2A1F2R | |
| Hydrochloric Acid SCHEMBL9568541 | 0.81 | SLC2A1 (1.00) | DHFRSLC2A1F2R | |
| SCHEMBL9568550 | 0.81 | DHFR (0.75) | DHFRSLC2A1F2R |
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 3 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 |
| EP-0542497-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-19 | — | — | EP | disclosed |