Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 9/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TLR4 | O00206 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.44 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | GART | P22102 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8446745 | 1.00 | DHFR (0.58) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL27304296 | 1.00 | DHFR (0.58) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL27501803 | 0.88 | DHFR (0.60) | DHFR | |
| SCHEMBL8448171 | 0.88 | DHFR (0.60) | DHFR | |
| SCHEMBL8448168 | 0.88 | DHFR (0.60) | DHFR | |
| SCHEMBL9307616 | 0.87 | DHFR (0.59) | DHFR | |
| SCHEMBL9307623 | 0.87 | DHFR (0.59) | DHFR | |
| SCHEMBL8448527 | 0.87 | DHFR (0.61) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL8448160 | 0.81 | DHFR (0.45) | DHFRTYMS | |
| SCHEMBL8445246 | 0.80 | DHFR (0.43) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0543997-B1 | DERIVATIVES OF METHOTREXATE WITH ANTIRHEUMATIC ACTIVITY | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-12-08 | — | — | EP | 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 |