Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.91 |
| ▸ | TYMS | P04818 | 3/20 | 0.83 |
| ▸ | ATIC | P31939 | 2/20 | 0.71 |
| ▸ | GART | P22102 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL29359823 | 1.00 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL29363552 | 1.00 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL9224063 | 1.00 | DHFR (0.91) | DHFRTYMSATICGART | |
| SCHEMBL7258363 | 0.97 | DHFR (0.86) | DHFRTYMSATICGART | |
| SCHEMBL12421761 | 0.92 | DHFR (0.78) | DHFRTYMS | |
| SCHEMBL18163401 | 0.91 | DHFR (0.76) | DHFRTYMS | |
| SCHEMBL9216883 | 0.91 | DHFR (0.76) | DHFRTYMSATICGART | |
| SCHEMBL18402629 | 0.91 | DHFR (0.75) | DHFRTYMS | |
| SCHEMBL9555830 | 0.91 | TYMS (0.84) | DHFRTYMS | |
| SCHEMBL9556172 | 0.90 | TYMS (0.81) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5252573-A | Quinazoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |