Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | DNMT1 known ✓ | P26358 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | BLM | P54132 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | DRD3 | P35462 | 1/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
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 SCHEMBL19100456 | 0.88 | DHFR (0.59) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL28146995 | 0.83 | DHFR (0.68) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL6023395 | 0.81 | DHFR (0.40) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL166271 | 0.79 | DHFR (0.58) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL28318532 | 0.79 | CA5A (0.59) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL28307994 | 0.78 | TDP1 (0.50) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL10701228 | 0.78 | DHFR (1.00) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL29403928 | 0.78 | DHFR (1.00) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL3983 | 0.78 | DHFR (1.00) | DHFRALDH1A1BLMMEN1ESR1 | |
| Trimetrexate SCHEMBL29376841 | 0.78 | DHFR (1.00) | DHFRALDH1A1BLMMEN1ESR1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3638320-A2 | IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2020-04-22 | — | — | EP | disclosed |
| EP-3619191-A1 | PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2020-03-11 | — | — | EP | disclosed |
| WO-2018204869-A1 | PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2018-11-08 | — | — | WO | disclosed |
| WO-2018204872-A2 | IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2018-11-08 | — | — | WO | disclosed |
| EP-3237450-A1 | ANTI-MERTK AGONISTIC ANTIBODIES AND USES THEREOF | The Rockefeller University (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-3137447-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Rgenix, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |
| EP-3091970-A1 | LXR AGONISTS AND USES THEREOF | Rgenix, Inc. (US) | 2016-11-16 | — | — | EP | disclosed |
| WO-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |
| WO-2016106221-A1 | ANTI-MERTK AGONISTIC ANTIBODIES AND USES THEREOF | THE ROCKEFELLER UNIVERSITY (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016100619-A2 | TREATMENT AND DIAGNOSIS OF CANCER | RGENIX, INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2015168465-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2015-11-05 | — | — | WO | disclosed |
| WO-2015106164-A1 | LXR AGONISTS AND USES THEREOF | RGENIX, INC. (US) | 2015-07-16 | — | — | WO | disclosed |
| EP-2882496-A2 | TREATMENT AND DIAGNOSIS OF MELANOMA | The Rockefeller University (US) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014028461-A2 | TREATMENT AND DIAGNOSIS OF MELANOMA | THE ROCKEFELLER UNIVERSITY (US) | 2014-02-20 | — | — | WO | disclosed |
| EP-1968607-A1 | TREATMENT OF CANCER AND OTHER DISEASES | Nabil Habib Lab (LB) | 2008-09-17 | — | — | EP | disclosed |
| CN-101217956-A | Compositions and methods for treatment for neoplasms | COMBINATORX INC (US) | 2008-07-09 | — | — | CN | disclosed |
| EP-1874321-A2 | COMPOSITIONS FOR THE TREATMENT OF NEOPLASMS | CombinatoRx, Incorporated (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007064691-A1 | TREATMENT OF CANCER AND OTHER DISEASES | NABIL HABIB LAB (LB) | 2007-06-07 | — | — | WO | disclosed |
| WO-2006113718-A2 | COMPOSITIONS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2006-10-26 | — | — | WO | disclosed |
| WO-2004073631-A2 | COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-09-02 | — | — | WO | disclosed |