Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL6ST | P40189 | 5/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3955251 | 1.00 | IL6ST (0.49) | IL6STSTAT3IDH1CYP1A2CYP2C9 | |
| SCHEMBL3955785 | 1.00 | IL6ST (0.49) | IL6STSTAT3IDH1CYP1A2CYP2C9 | |
| SCHEMBL3948400 | 1.00 | IL6ST (0.49) | IL6STSTAT3IDH1CYP1A2CYP2C9 | |
| SCHEMBL5109568 | 0.87 | IDH1 (0.52) | IL6STSTAT3IDH1 | |
| SCHEMBL14032396 | 0.87 | IDH1 (0.52) | IL6STSTAT3IDH1 | |
| SCHEMBL5109565 | 0.87 | IDH1 (0.52) | IL6STSTAT3IDH1 | |
| SCHEMBL23162452 | 0.85 | IL6ST (0.48) | IL6STSTAT3IDH1PIK3CD | |
| SCHEMBL15515367 | 0.85 | IL6ST (0.48) | IL6STSTAT3IDH1PIK3CD | |
| SCHEMBL15506109 | 0.85 | IL6ST (0.48) | IL6STSTAT3IDH1PIK3CD | |
| SCHEMBL19719544 | 0.84 | FKBP5 (0.50) | IL6STSTAT3IDH1FKBP1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776404-B1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIV CONNECTICUT (US) | 2016-07-06 | — | — | EP | disclosed |
| US-8853228-B2 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | UNIVERSITY OF CONNECTICUT (US) | 2014-10-07 | — | — | US | disclosed |
| EP-2776404-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | University of Connecticut (US) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013070620-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIVERSITY OF CONNECTICUT (US) | 2013-05-16 | — | — | WO | disclosed |
| US-8426432-B2 | Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties | UNIVERSITY OF CONNECTICUT (US) | 2013-04-23 | — | — | US | disclosed |
| US-20120196859-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIVERSITY OF CONNECTICUT | 2012-08-02 | — | — | US | disclosed |
| US-20090105287-A1 | Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties | UNIVERSITY OF CONNECTICUT (US) | 2009-04-23 | — | — | US | disclosed |
| WO-2009025919-A2 | 5-PROPARGYL-PYRIMIDINE DERIVATIVES AS INHIBITORS OF DIHYDROFOLATE REDUCTASE WITH ANTIBACTERIAL ANTIPROTOZOAL, ANTIFUNGAL AND ANTICANCER PROPERTIES | UNIVERSITY OF CONNECTICUT (US) | 2009-02-26 | — | — | WO | 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 (2 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-20090105287-A1 | Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties | DHFR, DPYD, DHODH | IL6ST 3481/4885STAT3 4670/4885IDH1 68/4885 |
| US-20120196859-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | DHFR, DPYD, DHODH | IL6ST 3125/4885STAT3 4720/4885IDH1 39/4885 |
“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.