Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.58 |
| ▸ | GART | P22102 | 8/20 | 0.56 |
| ▸ | ATIC | P31939 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.52 |
| ▸ | FOLR1 | P15328 | 3/20 | 0.52 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.52 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.51 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.50 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28774100 | 1.00 | DHFR (0.58) | DHFRGARTATICCA2CA1 | |
| SCHEMBL27564186 | 0.82 | CA2 (0.75) | DHFRCA2CA1FOLH1 | |
| SCHEMBL27725302 | 0.79 | TAS1R3 (0.50) | CA2CA1 | |
| SCHEMBL27905011 | 0.79 | TAS1R3 (0.50) | CA2CA1 | |
| SCHEMBL11001503 | 0.79 | CA2 (0.63) | DHFRCA2CA1FOLH1 | |
| SCHEMBL28918922 | 0.79 | CA2 (0.67) | DHFRGARTATICCA2CA1 | |
| SCHEMBL28918925 | 0.79 | CA2 (0.67) | DHFRGARTATICCA2CA1 | |
| SCHEMBL13330081 | 0.79 | CA2 (0.63) | DHFRGARTATICCA2CA1 | |
| SCHEMBL3536003 | 0.77 | C3AR1 (0.50) | CA2CA1 | |
| SCHEMBL28757793 | 0.77 | L3MBTL1 (0.51) | DHFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111087321-A | Purification method of pemetrexed disodium intermediate | 山东安弘制药有限公司 | 2020-05-01 | — | — | CN | disclosed |
| CN-100376546-C | Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use | UNIV ZHEJIANG POLYTECHNIC (CN) | 2008-03-26 | — | — | CN | disclosed |
| CN-1321975-C | Diethyl 4[(4-oxo-3-bromo) butyl] benzoyl-L-glutamate and preparation and use | UNIV ZHEJIANG POLYTECHNIC (CN) | 2007-06-20 | — | — | CN | disclosed |