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 | 5/20 | 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 SCHEMBL947898 | 1.00 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL947900 | 1.00 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL29349432 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL171251 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL20548444 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3712 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL8216266 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL2301949 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3711 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL16013534 | 0.99 | DHFR (1.00) | 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115645388-A | Amino acid composition and use thereof | 佛罗里达大学研究基金会公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-114903890-A | Methods of treating cancer by targeting bone marrow-derived suppressor cells | 普渡研究基金会 | 2022-08-16 | — | — | CN | disclosed |
| CN-114727974-A | HDAC6 inhibitors and uses thereof | 艾科尼佐治疗股份有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-114377143-A | Compositions, methods and kits for diagnosing and treating disorders associated with CD206 expressing cells | 康德乐健康414有限责任公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-114269346-A | Compounds and methods for treating and preventing fibrotic disease states and cancer | 普渡研究基金会 | 2022-04-01 | — | — | CN | disclosed |
| CN-114173822-A | Methods and compositions for treating cancer with collagen-binding drug carriers | 芝加哥大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-113906023-A | Solid forms of a TOLL-like receptor modulator | 吉利德科学公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-113840839-A | Humanized and affinity matured anti-CEACAM 1 antibodies | 布里格姆妇女医院 | 2021-12-24 | — | — | CN | disclosed |
| CN-113767098-A | Solid forms of Toll-like receptor modulators | 吉利德科学公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-113616656-A | Heterocyclic compounds for the treatment of PI 3K-gamma mediated disorders | 无限药品股份有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-104884091-B | Minimally toxic prodrugs | 科比欧尔斯公司 | 2021-07-20 | — | — | CN | disclosed |
| CN-112969505-A | Substituted 6-azabenzimidazole compounds having HPK1 inhibiting activity | 吉利德科学公司 | 2021-06-15 | — | — | CN | disclosed |
| CN-112584859-A | anti-STEAP 1 antigen binding proteins | 美国安进公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-112236143-A | Pharmaceutical combination | 柏林化学股份公司 | 2021-01-15 | — | — | CN | disclosed |
| CN-105377889-B | Heterodimeric proteins | XENCOR股份有限公司 | 2020-07-17 | — | — | CN | disclosed |
| CN-111138543-A | Heterodimeric proteins | XENCOR股份有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-110981964-A | Novel heterodimeric proteins | XENCOR股份有限公司 | 2020-04-10 | — | — | CN | disclosed |
| CN-110753541-A | Pharmaceutical compositions for in vivo delivery, process for preparing substantially water insoluble pharmacologically active agents | ZY治疗公司 | 2020-02-04 | — | — | CN | disclosed |
| CN-110590953-A | FC-containing polypeptides with altered glycosylation and reduced effector function | 建新公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-105051069-B | Novel heterodimeric proteins | XENCOR, INC. (US) | 2019-12-10 | — | — | CN | disclosed |