Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.40 |
| ▸ | ATIC | P31939 | 4/20 | 0.39 |
| ▸ | GART | P22102 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.39 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9226042 | 0.88 | ATIC (0.47) | DHFRATICGARTKDM4ETLR4 | |
| SCHEMBL9227834 | 0.82 | DHFR (0.45) | DHFRATICGART | |
| SCHEMBL9040555 | 0.82 | DHFR (0.48) | DHFRATICGARTKDM4ETLR4 | |
| SCHEMBL9220625 | 0.82 | MTHFD1 (0.49) | DHFRATICGART | |
| SCHEMBL9227807 | 0.81 | DHFR (0.50) | DHFRATICGARTTYMSFOLR2 | |
| SCHEMBL9038609 | 0.79 | GART (0.44) | DHFRGARTTYMSFOLR2FOLR1 | |
| SCHEMBL9040375 | 0.78 | ATIC (0.57) | DHFRATICGARTKDM4ETLR4 | |
| SCHEMBL9042729 | 0.77 | DHFR (0.53) | DHFRATICGARTKDM4ETLR4 | |
| SCHEMBL9227075 | 0.77 | ATIC (0.51) | DHFRATICGARTTYMS | |
| SCHEMBL9223785 | 0.76 | GART (0.51) | DHFRATICGART |
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 |
|---|---|---|---|---|---|---|---|
| US-5459129-A | Antitumor agents; enzyme inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-17 | — | — | US | disclosed |
| US-5268362-A | Containing benzene and purine rings | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-12-07 | — | — | US | disclosed |
| EP-0492316-A1 | Condensed heterocyclic oligoglutamate derivatives, their production and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1992-07-01 | — | — | EP | disclosed |