Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.48 |
| ▸ | ATIC | P31939 | 3/20 | 0.47 |
| ▸ | TYMS | P04818 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.47 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | GART | P22102 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042729 | 0.87 | DHFR (0.53) | DHFRATICTYMSKDM4ETLR4 | |
| SCHEMBL9040375 | 0.87 | ATIC (0.57) | DHFRATICTYMSKDM4ETLR4 | |
| SCHEMBL9225937 | 0.82 | DHFR (0.40) | DHFRATICTYMSKDM4ETLR4 | |
| SCHEMBL9041771 | 0.82 | DHFR (0.50) | DHFRATICTYMSKDM4ETLR4 | |
| SCHEMBL9042233 | 0.81 | DHFR (0.54) | DHFRATICTYMSKDM4ETLR4 | |
| SCHEMBL9042227 | 0.81 | DHFR (0.54) | DHFRATICTYMSKDM4ETLR4 | |
| SCHEMBL8997253 | 0.81 | DHFR (0.58) | DHFRATICGART | |
| SCHEMBL9043308 | 0.81 | DHFR (0.57) | DHFRATICFOLR2FOLR1GART | |
| SCHEMBL9758306 | 0.81 | DHFR (0.55) | DHFRATICGART | |
| SCHEMBL8997170 | 0.81 | DHFR (0.55) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0400562-B1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-08-21 | — | — | EP | disclosed |