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 | |
|---|---|---|---|---|
| SCHEMBL9223936 | 0.91 | TYMS (0.68) | TYMSDHFR | |
| SCHEMBL9555830 | 0.90 | TYMS (0.84) | TYMSDHFR | |
| SCHEMBL9556163 | 0.89 | DHFR (0.73) | TYMSDHFR | |
| SCHEMBL9555871 | 0.89 | TYMS (0.71) | TYMSDHFR | |
| SCHEMBL9501327 | 0.89 | DHFR (0.91) | TYMSDHFR | |
| SCHEMBL9224063 | 0.89 | DHFR (0.91) | TYMSDHFR | |
| SCHEMBL29363552 | 0.89 | DHFR (0.91) | TYMSDHFR | |
| SCHEMBL29359823 | 0.89 | DHFR (0.91) | TYMSDHFR | |
| SCHEMBL9556070 | 0.88 | DHFR (0.72) | TYMSDHFR | |
| SCHEMBL9556172 | 0.88 | TYMS (0.81) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4992550-A | Thymidylate synthetase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-12 | — | — | US | claimed |
| US-5252573-A | Quinazoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5187167-A | Antitumor agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-16 | — | — | US | disclosed |
| US-5081124-A | Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-14 | — | — | US | disclosed |