Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 11/20 | 0.72 |
| ▸ | TYMS | P04818 | 6/20 | 0.72 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.61 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.61 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.61 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.61 |
| ▸ | GART | P22102 | 1/20 | 0.61 |
| ▸ | ATIC | P31939 | 1/20 | 0.61 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.61 |
| ▸ | FRK | P42685 | 1/20 | 0.61 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14329882 | 0.94 | DHFR (0.63) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| Pemetrexed SCHEMBL12022769 | 0.91 | DHFR (0.83) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| Pemetrexed SCHEMBL7848273 | 0.91 | DHFR (0.83) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL9227343 | 0.88 | DHFR (0.78) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL9227108 | 0.88 | DHFR (0.78) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL9042429 | 0.87 | DHFR (0.64) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL9042447 | 0.87 | DHFR (0.64) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL8997171 | 0.86 | DHFR (0.75) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL8997255 | 0.86 | DHFR (0.75) | DHFRTYMSFOLR1SLC19A1SLC46A1 | |
| SCHEMBL15078861 | 0.85 | GART (0.84) | DHFRTYMSFOLR1SLC19A1SLC46A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120329819-A1 | NEW CRYSTALLINE FORM OF PEMETREXED DISODIUM | UNIVERSITY OF ZURICH (CH) | 2012-12-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120329819-A1 | NEW CRYSTALLINE FORM OF PEMETREXED DISODIUM | TYMP, TYMS, MTHFD1 | DHFR 11/4885TYMS 2/4885FOLR1 17/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.