Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 13/20 | 0.55 |
| ▸ | TYMS | P04818 | 7/20 | 0.55 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.48 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.48 |
| ▸ | GART | P22102 | 1/20 | 0.48 |
| ▸ | ATIC | P31939 | 1/20 | 0.48 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.48 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.48 |
| ▸ | FRK | P42685 | 1/20 | 0.48 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564193 | 0.92 | DHFR (0.56) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564157 | 0.90 | TYMS (0.49) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564195 | 0.90 | DHFR (0.60) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564223 | 0.90 | DHFR (0.58) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564276 | 0.90 | DHFR (0.58) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564182 | 0.89 | DHFR (0.56) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564161 | 0.89 | DHFR (0.57) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564227 | 0.89 | DHFR (0.57) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564267 | 0.88 | DHFR (0.56) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9564174 | 0.88 | DHFR (0.60) | DHFRTYMSFOLR2FOLR1GART |
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 2 patents. 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 | claimed |
| EP-0549291-A1 | Thymidylate synthase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |