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 | |
|---|---|---|---|---|
| SCHEMBL9564187 | 0.81 | FOLR1 (0.34) | TYMSDHFR | |
| SCHEMBL9564231 | 0.80 | CA12 (0.36) | TYMSDHFR | |
| SCHEMBL8997147 | 0.79 | NAMPT (0.50) | TYMSDHFR | |
| SCHEMBL14329878 | 0.79 | DHFR (0.51) | TYMSDHFR | |
| SCHEMBL9564183 | 0.78 | CA12 (0.35) | TYMSDHFR | |
| SCHEMBL9564149 | 0.78 | CA12 (0.34) | DHFR | |
| SCHEMBL9044792 | 0.77 | TYMS (0.51) | TYMSDHFR | |
| SCHEMBL9047680 | 0.75 | DHFR (0.45) | TYMSDHFR | |
| SCHEMBL9564178 | 0.75 | CA12 (0.34) | — | |
| SCHEMBL9564211 | 0.74 | CA12 (0.34) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0549291-A1 | Thymidylate synthase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |