Known targets — ChEMBL curated mechanism
POLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PRIM1PRIM2RRM1RRM2RRM2B
The experimentally established mechanism targets of Trimetrexate. 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 | |
|---|---|---|---|---|
| ▸ | POLA1 known ✓ | P09884 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 8/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Trimetrexate SCHEMBL5056582 | 0.79 | DHFR (0.60) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL19100456 | 0.78 | DHFR (0.59) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL28146995 | 0.77 | DHFR (0.68) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL10701228 | 0.76 | DHFR (1.00) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL7099831 | 0.75 | DHFR (0.98) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL7099341 | 0.75 | DHFR (0.98) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL28151291 | 0.75 | DHFR (0.70) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL8039650 | 0.75 | DHFR (0.88) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL28142980 | 0.75 | DHFR (0.88) | DHFRPDE3AMEN1ALDH1A1ESR1 | |
| Trimetrexate SCHEMBL7099424 | 0.75 | DHFR (0.88) | DHFRPDE3AMEN1ALDH1A1ESR1 |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672952-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| EP-3672951-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| EP-3668516-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | Merck Patent GmbH (DE) | 2020-06-24 | — | — | EP | disclosed |
| EP-3661941-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-06-10 | — | — | EP | disclosed |
| WO-2019038215-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019038214-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019034673-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | MERCK PATENT GMBH (DE) | 2019-02-21 | — | — | WO | disclosed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |
| EP-2994471-A1 | MACROCYCLES AS KINASE INHIBITORS | Merck Patent GmbH (DE) | 2016-03-16 | — | — | EP | disclosed |
| EP-2976328-A1 | PIPERAZINE DERIVATIVES AS FASN INHIBITORS | Merck Patent GmbH (DE) | 2016-01-27 | — | — | EP | disclosed |
| EP-2352732-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | disclosed |
| EP-2254889-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010112124-A1 | AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-07 | — | — | WO | disclosed |
| WO-2010078897-A1 | NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF | MERCK PATENT GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010080253-A1 | TRICYCLIC AZAINDOLES | MERCK PATENT GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010077530-A1 | C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2010-07-08 | — | — | WO | disclosed |
| WO-2010072295-A1 | NOVEL POLYMORPHIC FORMS OF 6-(1-METHYL-1H-PYRAZOL-4-YL)-2-{3-[5-(2-MORPHOLIN-4-YL-ETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-2H-PYRIDAZIN-3-ONE DIHYDROGENPHOSPHATE AND PROCESSES OF MANUFACTURING THEREOF | MERCK PATENT GMBH (DE) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010063352-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2010-06-10 | — | — | WO | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | disclosed |