Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLR1 | P15328 | 4/20 | 0.34 |
| ▸ | SLC19A1 | P41440 | 4/20 | 0.34 |
| ▸ | SLC46A1 | Q96NT5 | 4/20 | 0.34 |
| ▸ | GART | P22102 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 3/20 | 0.30 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564205 | 0.81 | TYMS (0.43) | TYMSDHFR | |
| SCHEMBL9439883 | 0.80 | FOLR1 (0.44) | FOLR1SLC19A1SLC46A1GART | |
| SCHEMBL9564229 | 0.75 | FOLR1 (0.46) | FOLR1SLC19A1SLC46A1GARTTYMS | |
| SCHEMBL9564163 | 0.74 | FOLR1 (0.62) | FOLR1SLC19A1SLC46A1GARTTYMS | |
| SCHEMBL9859911 | 0.70 | FOLR1 (0.36) | FOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL24630170 | 0.70 | CHUK (0.40) | TYMSDHFR | |
| SCHEMBL9564231 | 0.69 | CA12 (0.36) | TYMSDHFR | |
| SCHEMBL9564183 | 0.68 | CA12 (0.35) | TYMSDHFR | |
| SCHEMBL9564189 | 0.67 | GPR84 (0.41) | TYMSDHFR | |
| SCHEMBL13141322 | 0.67 | HPGD (0.40) | — |
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 |