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 | 0.98 |
| ▸ | FPGS | Q05932 | 3/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.98 |
| ▸ | TLR4 | O00206 | 1/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.98 |
| ▸ | LMNA | P02545 | 1/20 | 0.98 |
| ▸ | TP53 | P04637 | 1/20 | 0.98 |
| ▸ | TYMS | P04818 | 1/20 | 0.98 |
| ▸ | GLA | P06280 | 1/20 | 0.98 |
| ▸ | POLB | P06746 | 1/20 | 0.98 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.98 |
| ▸ | MAPT | P10636 | 1/20 | 0.98 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.98 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.98 |
| ▸ | HPGD | P15428 | 1/20 | 0.98 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.98 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.98 |
| ▸ | GART | P22102 | 1/20 | 0.98 |
| ▸ | APEX1 | P27695 | 1/20 | 0.98 |
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 SCHEMBL20548444 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3711 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL8216266 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL16013534 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL171251 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL29349432 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL2301949 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3712 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL23111685 | 0.98 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL22690828 | 0.98 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140234410-A1 | COMBINATION PRODUCTS | SIGMOID PHARMA LTD. (IE) | 2014-08-21 | — | — | US | disclosed |
| EP-2322146-B1 | Microcapsule formulations comprising two pharmaceutically active ingredients | SIGMOID PHARMA LTD (IE) | 2012-12-12 | — | — | EP | disclosed |
| EP-2444071-A1 | Minicapsule formulations | Sigmoid Pharma Limited (IE) | 2012-04-25 | — | — | EP | disclosed |
| EP-2322146-A2 | Microcapsule formulations comprising two pharmaceutically active ingredients | Sigmoid Pharma Limited (IE) | 2011-05-18 | — | — | EP | disclosed |
| EP-2156826-A1 | Microcapsule formulations comprising two pharmaceutically active ingredients | Sigmoid Pharma Limited (IE) | 2010-02-24 | — | — | EP | disclosed |
| EP-2153824-A1 | Seamless multiparticulate formulations | Sigmoid Pharma Limited (IE) | 2010-02-17 | — | — | EP | disclosed |
| US-20080113031-A1 | seamless capsules having cores containing drugs, to enhance bioavailability, sustained release or time release of drugs | SIGMOID PHARMA LIMITED (IE) | 2008-05-15 | — | — | US | disclosed |
| US-20080020018-A1 | Combination Products | SIGMOID PHARMA LIMITED (IE) | 2008-01-24 | — | — | US | disclosed |
| EP-1811979-A2 | MICROCAPSULES COMPRISING A METHYLXANTHINE AND A CORTICOSTEROID | Sigmoid Biotechnologies Limited (IE) | 2007-08-01 | — | — | EP | disclosed |
| EP-1499303-A4 | MULTI-PHASE, MULTI-COMPARTMENT CAPSULAR SYSTEM | MILLER FRED H (US) | 2007-07-25 | — | — | EP | disclosed |
| EP-1802287-A2 | MINICAPSULE FORMULATIONS | Sigmoid Biotechnologies Limited (IE) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006035418-A2 | MICROCAPSULES COMPRISING A METHYLXANTHINE AND A CORTICOSTEROID | SIGMOID BIOTECHNOLOGIES LIMITED (IE) | 2006-04-06 | — | — | WO | disclosed |
| WO-2006035416-A2 | MINICAPSULE FORMULATIONS | SIGMOID BIOTECHNOLOGIES LIMITED (IE) | 2006-04-06 | — | — | WO | disclosed |
| EP-1499303-A2 | MULTI-PHASE, MULTI-COMPARTMENT CAPSULAR SYSTEM | Miller, Fred H. (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003086267-A2 | MULTI-PHASE, MULTI-COMPARTMENT CAPSULAR SYSTEM | MILLER FRED H (US) | 2003-10-23 | — | — | WO | disclosed |