Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.64 |
| ▸ | TYMS | P04818 | 4/20 | 0.57 |
| ▸ | ATIC | P31939 | 2/20 | 0.55 |
| ▸ | GART | P22102 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10828707 | 1.00 | DHFR (0.64) | DHFRTYMSATICGART | |
| SCHEMBL10829048 | 0.91 | DHFR (0.60) | DHFRTYMS | |
| SCHEMBL10828960 | 0.89 | DHFR (0.78) | DHFRTYMSATIC | |
| SCHEMBL6579718 | 0.88 | DHFR (0.78) | DHFRTYMS | |
| SCHEMBL10828939 | 0.87 | DHFR (0.60) | DHFRTYMSATICGART | |
| SCHEMBL6337570 | 0.86 | DHFR (0.77) | DHFRTYMSATICGART | |
| SCHEMBL10828697 | 0.86 | DHFR (0.53) | DHFRTYMS | |
| SCHEMBL10828701 | 0.86 | DHFR (0.53) | DHFRTYMS | |
| SCHEMBL10829007 | 0.83 | ATIC (0.57) | DHFRTYMSATICGART | |
| SCHEMBL24629149 | 0.82 | DHFR (0.70) | DHFRTYMS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4564616-A | Anti-cancer quinazoline derivatives | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1986-01-14 | — | — | US | disclosed |
| EP-0031237-B1 | QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTI-CANCER AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1984-10-17 | — | — | EP | disclosed |
| US-4447608-A | ANTITUMOR AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1984-05-08 | — | — | US | disclosed |
| EP-0031237-A1 | Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1981-07-01 | — | — | EP | disclosed |