Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 13/20 | 0.45 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL8445246 | 0.89 | DHFR (0.43) | DHFR | |
| SCHEMBL8446745 | 0.81 | DHFR (0.58) | DHFRTYMS | |
| SCHEMBL8446743 | 0.81 | DHFR (0.58) | DHFRTYMS | |
| SCHEMBL27304296 | 0.81 | DHFR (0.58) | DHFRTYMS | |
| SCHEMBL8448527 | 0.81 | DHFR (0.61) | DHFRTYMS | |
| SCHEMBL8447845 | 0.73 | DHFR (0.46) | DHFR | |
| SCHEMBL8446711 | 0.73 | DHFR (0.47) | DHFR | |
| SCHEMBL23769113 | 0.72 | ROCK2 (0.50) | — | |
| SCHEMBL31490290 | 0.72 | ROCK2 (0.50) | — | |
| SCHEMBL8446747 | 0.71 | DHFR (0.49) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543997-B1 | DERIVATIVES OF METHOTREXATE WITH ANTIRHEUMATIC ACTIVITY | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-12-08 | — | — | EP | disclosed |
| CN-1032858-C | Methylamino pterin derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1996-09-25 | — | — | CN | disclosed |
| US-5354753-A | Methotrexate derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-10-11 | — | — | US | disclosed |
| EP-0543997-A1 | NOVEL METHOTREXATE DERIVATIVE | Chugai Seiyaku Kabushiki Kaisha (JP) | 1993-06-02 | — | — | EP | disclosed |
| CN-1059725-A | Novel methotrexate derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1992-03-25 | — | — | CN | disclosed |