Ketotrexate

Ketotrexate

SCHEMBL1228871

CN1c2c([nH]c(N)nc2=O)NCC1CCNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD1 P11586 3/20 0.80
DHFR P00374 2/20 0.58
ATIC P31939 3/20 0.56
SOST Q9BQB4 1/20 0.54
MTHFD2 P13995 3/20 0.49
GART P22102 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TYMS P04818 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
AKR1B1 P15121 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
PTGS2 P35354 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FPGS Q05932 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
Levomefolic Acid SCHEMBL79586 0.92 MTHFD1 (0.68) MTHFD1DHFRATICSOSTMTHFD2
Levomefolic Acid SCHEMBL20440869 0.92 MTHFD1 (0.68) MTHFD1DHFRATICSOSTMTHFD2
Levomefolic Acid SCHEMBL16466806 0.92 MTHFD1 (0.68) MTHFD1DHFRATICSOSTMTHFD2
Levomefolic Acid SCHEMBL16490221 0.92 MTHFD1 (0.68) MTHFD1DHFRATICSOSTMTHFD2
Levomefolic Acid SCHEMBL7953180 0.92 MTHFD1 (0.68) MTHFD1DHFRATICSOSTMTHFD2
Levomefolic Acid SCHEMBL3442396 0.92 MTHFD1 (0.67) MTHFD1DHFRATICSOSTMTHFD2
SCHEMBL10928467 0.89 DHFR (0.68) MTHFD1DHFRATICSOSTMTHFD2
SCHEMBL26045337 0.87 MTHFD1 (0.60) MTHFD1DHFRATICSOSTMTHFD2
SCHEMBL25849429 0.87 MTHFD1 (0.60) MTHFD1DHFRATICSOSTMTHFD2
SCHEMBL26045357 0.85 MTHFD1 (0.59) MTHFD1DHFRATICSOSTMTHFD2

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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022245124-A1 NOVEL ETHENE COMPOUND AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 재단법인 대구경북첨단의료산업진흥재단 2022-11-24 WO claimed
CN-105457038-A Quick release type medicine phosphatide compound and medicine composition thereof UNIV SOUTHEAST 2016-04-06 CN claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
CN-104244968-A PH20 polypeptide variants, formulations, and uses thereof HALOZYME INC 2014-12-24 CN claimed
CN-104127469-A New application of olive leaf crude extract and tumor therapeutic drug combined kit thereof SHANGHAI YUXIAN MEDICAL TECHNOLOGY CO LTD 2014-11-05 CN claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 CN claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
CN-1923173-A Anti-cancer drugs slow release agent comprising anticancer antibiotics and booster thereof JINAN KANGQUAN PHARMACEUTICAL (CN) 2007-03-07 CN claimed
CN-1857723-A Slow released anticancer medicine preparation with both amrubicin and its synergist KANGQUAN MEDICINE SCI TECH CO (CN) 2006-11-08 CN claimed
CN-1634584-A Anti-cancer medicine composition containing antimetabolite SHANDONG LANJIN BIOENGINEERING (CN) 2005-07-06 CN claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
US-3983118-A Production of N5 -methyltetrahydrohomofolic acid and related reduced derivatives of homofolic acid THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1976-09-28 US claimed
EP-3782649-B1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS ASCENDIS PHARMA AS (DK) 2025-05-14 EP disclosed
WO-2025096952-A1 SCAFFOLDS AND SCAFFOLD HOLDERS FOR TISSUE ENGINEERING UNIVERSITY OF CONNECTICUT (US) 2025-05-08 WO disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
US-3983118-A Production of N5 -methyltetrahydrohomofolic acid and related reduced derivatives of homofolic acid THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1976-09-28 US disclosed