Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methotrexate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 4/20 | 1.00 |
| ▸ | FPGS | Q05932 | 3/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | TLR4 | O00206 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | TYMS | P04818 | 1/20 | 1.00 |
| ▸ | GLA | P06280 | 1/20 | 1.00 |
| ▸ | POLB | P06746 | 1/20 | 1.00 |
| ▸ | HMGB1 | P09429 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | FOLR2 | P14207 | 1/20 | 1.00 |
| ▸ | FOLR1 | P15328 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 1/20 | 1.00 |
| ▸ | ALOX12 | P18054 | 1/20 | 1.00 |
| ▸ | GART | P22102 | 1/20 | 1.00 |
| ▸ | APEX1 | P27695 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Methotrexate SCHEMBL3712 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL2301949 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL20548444 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL8216266 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL171251 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL29349432 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3711 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL23111684 | 0.99 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL22690831 | 0.99 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL9281141 | 0.99 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964768-A1 | A CELL EXPRESSION SYSTEM | NEUCLONE BIOLOGICS PTY LTD (AU) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014134657-A1 | A CELL EXPRESSION SYSTEM | SUNYETTE PTY LTD (AU) | 2014-09-12 | — | — | WO | disclosed |