Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 19/20 | 0.64 |
| ▸ | DHFR | P00374 | 2/20 | 0.64 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.64 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.64 |
| ▸ | GART | P22102 | 1/20 | 0.64 |
| ▸ | ATIC | P31939 | 1/20 | 0.64 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.64 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.64 |
| ▸ | FRK | P42685 | 1/20 | 0.64 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL2260428 | 0.91 | TYMS (0.69) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL2260030 | 0.89 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL13659935 | 0.89 | TYMS (0.63) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL2260032 | 0.88 | TYMS (0.68) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL25476851 | 0.87 | TYMS (0.64) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL13524779 | 0.87 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL14612488 | 0.87 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL8855177 | 0.87 | TYMS (0.61) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL15648166 | 0.86 | TYMS (0.55) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL12238856 | 0.84 | TYMS (0.57) | TYMSDHFRFOLR2FOLR1GART |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078464-A1 | EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海弼领生物技术有限公司 | 2023-05-11 | — | — | WO | disclosed |
| WO-2018096853-A1 | NOVEL MEDOXOMIL AND HEMIACETAL ESTERS OF PEMETREXED, PRODUCTION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING ESTER PRODRUG | 学校法人近畿大学 | 2018-05-31 | — | — | WO | disclosed |
| WO-2017031176-A1 | MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2017-02-23 | — | — | WO | disclosed |