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 SCHEMBL2301949 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL20548444 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL8216266 | 1.00 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL16013534 | 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
Appears in 419440 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240327405-A1 | THIOAMIDE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF | Yunbaiyao Zhengwu Science and Technology (Shanghai) Co., Ltd. (CN) | 2024-10-03 | — | — | US | claimed |
| CN-113727713-B | Use of fluorine substituted 2-aminothiazole-5-aromatic formamide | 湖南华纳大药厂股份有限公司 | 2024-09-24 | — | — | CN | claimed |
| US-12099067-B2 | Methods and compositions for diagnosis and prognosis of renal injury and renal failure | ASTUTE MEDICAL, INC. (US) | 2024-09-24 | — | — | US | claimed |
| CN-114450271-B | Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition | 纽力克斯治疗公司 | 2024-09-20 | — | — | CN | claimed |
| WO-2024191447-A1 | RADIATION SPACER HYDROGELS, METHODS OF FORMING, AND METHODS OF USE | CLEARSTREAM TECHNOLOGIES LIMITED (IE) | 2024-09-19 | — | — | WO | claimed |
| US-20240312641-A1 | SMART DOSING FOR CANCER THERAPY | OPTIMDOSING LLC (US) | 2024-09-19 | — | — | US | claimed |
| EP-3928836-B1 | N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2024-09-18 | — | — | EP | claimed |
| CN-118652827-A | Method for preparing soy hemoglobin by using corynebacterium glutamicum | 安徽医科大学 | 2024-09-17 | — | — | CN | claimed |
| CN-118660713-A | Composition for preventing or treating cancer using combination therapy comprising lactobacillus plantarum strain and anticancer agent | 南韩商GI生物群系公司 | 2024-09-17 | — | — | CN | claimed |
| EP-4426741-A1 | BCMA MONOCLONAL ANTIBODY AND THE ANTIBODY-DRUG CONJUGATE | Hangzhou DAC Biotech Co., Ltd. (CN) | 2024-09-11 | — | — | EP | claimed |
| US-4148887-A | SUGAR ESTER WITH A METHYL SULFOXIDE | THE PROCTER & GAMBLE COMPANY (US) | 1979-04-10 | — | — | US | claimed |
| US-4106488-A | Cancer treatment method | GORDON, DAVID, SKOKIE, ILLINOIS | 1978-08-15 | — | — | US | claimed |
| US-4102455-A | COMPETITIVE BINDING WITH THE ENZYME DIHYDROFOLATE REDUCTASE | TRUSTEES OF TUFTS COLLEGE, A NON-PROFIT CORP. OF OF MA | 1978-07-25 | — | — | US | claimed |
| US-4093607-A | ANTITUMOR ANTIBODY, ANTICANCER DRUG | YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) | 1978-06-06 | — | — | US | claimed |
| US-4080325-A | REACTING TETRAAMINOPYRIMIDINE HYDROCHLORIDE WITH DIHYDROXYACETONE, MULTISTAGE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE | 1978-03-21 | — | — | US | claimed |
| US-4079056-A | REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) | 1978-03-14 | — | — | US | claimed |
| US-4067867-A | Process for preparing pyrazine precursor of methotrexate or an N-substituted derivative thereof and/or a di(lower)alkyl ester thereof | WIECKO JACEK | 1978-01-10 | — | — | US | claimed |
| US-4043759-A | BINDING OF DIHYDROFOLATE REDUCTASE, GAMMA RAY COUNT | TRUSTEES OF TUFTS COLLEGE, A NON-PROFIT CORP. OF OF MA | 1977-08-23 | — | — | US | claimed |
| US-3981983-A | Rapid, radiochemical-ligand binding assay for methotrexate | CASE WESTERN RESERVE UNIVERSITY (US) | 1976-09-21 | — | — | US | claimed |
| US-3946734-A | APPARATUS FOR CONTROLLING THE RELEASE OF A DRUG | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF STATE (US) | 1976-03-30 | — | — | US | claimed |