Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.66 |
| ▸ | TYMS | P04818 | 6/20 | 0.66 |
| ▸ | GART | P22102 | 7/20 | 0.65 |
| ▸ | ATIC | P31939 | 4/20 | 0.65 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.65 |
| ▸ | FOLR1 | P15328 | 3/20 | 0.65 |
| ▸ | SLC46A1 | Q96NT5 | 3/20 | 0.65 |
| ▸ | SHMT1 | P34896 | 3/20 | 0.65 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.65 |
| ▸ | FRK | P42685 | 1/20 | 0.65 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27994239 | 1.00 | DHFR (0.66) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL10124232 | 0.90 | DHFR (0.64) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL10109251 | 0.89 | DHFR (0.63) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL17794005 | 0.87 | DHFR (0.72) | DHFRTYMSGARTATICFOLR2 | |
| Pemetrexed SCHEMBL6034765 | 0.82 | GART (0.77) | DHFRTYMSGARTATICFOLR2 | |
| Pemetrexed SCHEMBL2549428 | 0.82 | GART (0.77) | DHFRTYMSGARTATICFOLR2 | |
| Pemetrexed SCHEMBL7968 | 0.82 | GART (0.77) | DHFRTYMSGARTATICFOLR2 | |
| Pemetrexed SCHEMBL7969 | 0.82 | GART (0.77) | DHFRTYMSGARTATICFOLR2 | |
| Pemetrexed SCHEMBL124663 | 0.82 | GART (0.76) | DHFRTYMSGARTATICFOLR2 | |
| Pemetrexed SCHEMBL124673 | 0.82 | GART (0.76) | DHFRTYMSGARTATICFOLR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104292232-A | Synthesis method for intermediate of impurity A of pemetrexed disodium | SHANDONG BOYUAN PHARMACEUTICAL CO LTD | 2015-01-21 | — | — | CN | disclosed |