Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.88 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.88 |
| ▸ | DHFR | P00374 | 8/20 | 0.88 |
| ▸ | MEN1 | O00255 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.88 |
| ▸ | ESR1 | P03372 | 1/20 | 0.88 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.88 |
| ▸ | HTR1A | P08908 | 1/20 | 0.88 |
| ▸ | MAPT | P10636 | 1/20 | 0.88 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.88 |
| ▸ | HPGD | P15428 | 1/20 | 0.88 |
| ▸ | MAOA | P21397 | 1/20 | 0.88 |
| ▸ | DRD1 | P21728 | 1/20 | 0.88 |
| ▸ | ACHE | P22303 | 1/20 | 0.88 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.88 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.88 |
| ▸ | PDE4A | P27815 | 1/20 | 0.88 |
| ▸ | DRD3 | P35462 | 1/20 | 0.88 |
| ▸ | BLM | P54132 | 1/20 | 0.88 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.88 |
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 SCHEMBL3983 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29403928 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL10701228 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29376841 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29906169 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099341 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099831 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099424 | 0.92 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8039650 | 0.92 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8035980 | 0.92 | DHFR (0.96) | DHFRMEN1ALDH1A1ESR1CHRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106659772-A | Compositions and methods to regulate renalase in the treatment of diseases and disorders | 耶鲁大学 | 2017-05-10 | — | — | CN | disclosed |