Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.57 |
| ▸ | TYMS | P04818 | 6/20 | 0.57 |
| ▸ | GART | P22102 | 3/20 | 0.57 |
| ▸ | ATIC | P31939 | 2/20 | 0.57 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.57 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.57 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.57 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.57 |
| ▸ | FRK | P42685 | 1/20 | 0.57 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL371409 | 1.00 | DHFR (0.57) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL207059 | 0.92 | TYMS (0.50) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL13003773 | 0.92 | GART (0.51) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL12370806 | 0.91 | DHFR (0.50) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL1236538 | 0.90 | TYMS (0.56) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL19623246 | 0.90 | TYMS (0.56) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL7844331 | 0.89 | TYMS (0.72) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL15078818 | 0.89 | TYMS (0.72) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL7844327 | 0.89 | TYMS (0.72) | DHFRTYMSGARTATICFOLR2 | |
| SCHEMBL2756063 | 0.88 | DHFR (0.48) | 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-102344452-A | A novel process for the synthesis of pemetrexed disodium salt | CHEMI SPA | 2012-02-08 | — | — | CN | disclosed |