Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.71 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.71 |
| ▸ | TLR4 | O00206 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | TYMS | P04818 | 1/20 | 0.71 |
| ▸ | GLA | P06280 | 1/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.71 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.71 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.71 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.71 |
| ▸ | GART | P22102 | 1/20 | 0.71 |
| ▸ | APEX1 | P27695 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL7165581 | 0.91 | DHFR (0.79) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL5668529 | 0.91 | DHFR (0.65) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL2794954 | 0.90 | DHFR (0.83) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL1073086 | 0.90 | DHFR (0.83) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL7166646 | 0.88 | DHFR (0.75) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL5349920 | 0.87 | DHFR (0.72) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL5402926 | 0.85 | DHFR (0.77) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL5325480 | 0.84 | DHFR (0.77) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL24668562 | 0.84 | DHFR (0.77) | DHFRNCOA3KDM4ETLR4MEN1 | |
| SCHEMBL15056535 | 0.84 | DHFR (0.77) | DHFRNCOA3KDM4ETLR4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007098089-A2 | TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH METHOTREXATE N-OXIDE AND ANALOGS | NOVACEA, INC. (US) | 2007-08-30 | — | — | WO | claimed |
| US-6559149-B1 | Lesser side effects without compromise in their efficacy | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-05-06 | — | — | US | claimed |
| US-6559149-B1 | Lesser side effects without compromise in their efficacy | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-05-06 | — | — | US | disclosed |
| EP-0632038-B1 | METHOTREXATE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2001-08-22 | — | — | EP | disclosed |
| EP-0632038-A1 | METHOTREXATE DERIVATIVE | Chugai Seiyaku Kabushiki Kaisha (JP) | 1995-01-04 | — | — | EP | disclosed |