Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL9724152 | 0.90 | DHFR (0.67) | TYMSDHFR | |
| SCHEMBL9501271 | 0.84 | TYMS (0.82) | TYMSDHFR | |
| SCHEMBL9724232 | 0.84 | DHFR (0.70) | TYMSDHFR | |
| SCHEMBL9724197 | 0.83 | DHFR (0.63) | TYMSDHFR | |
| SCHEMBL9724262 | 0.83 | DHFR (0.65) | TYMSDHFR | |
| SCHEMBL9724311 | 0.82 | DHFR (0.66) | TYMSDHFR | |
| SCHEMBL9724117 | 0.82 | DHFR (0.63) | TYMSDHFR | |
| SCHEMBL9724128 | 0.82 | DHFR (0.70) | TYMSDHFR | |
| SCHEMBL9555830 | 0.81 | TYMS (0.84) | TYMSDHFR | |
| SCHEMBL9724169 | 0.81 | TYMS (0.61) | TYMSDHFR |
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-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |