Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL564865 | 0.98 | ACHE (0.52) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL12435004 | 0.85 | ACHE (0.45) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL31004967 | 0.85 | ACHE (0.40) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL6196885 | 0.84 | TSHR (0.46) | ACHECYP3A4MAPTCA9HPGD | |
| SCHEMBL29254171 | 0.79 | HTR2A (0.51) | MAPTPTGS2HTR2AHTR2CHTR2B | |
| SCHEMBL29254183 | 0.78 | ACHE (0.33) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL29254175 | 0.77 | HTR2A (0.49) | MAPTPTGS2HTR2AHTR2CHTR2B | |
| SCHEMBL31004962 | 0.77 | HTR2A (0.49) | MAPTPTGS2HTR2AHTR2CHTR2B | |
| SCHEMBL29254234 | 0.75 | EGFR (0.37) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL28522318 | 0.74 | PDE2A (0.31) | ACHECYP3A4MAPTCA9CYP1A1 |
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 | ACHE 3284/4885CYP3A4 811/4885MAPT 3672/4885 |
| US-20120196859-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | DHFR, DPYD, DHODH | ACHE 3385/4885CYP3A4 899/4885MAPT 3639/4885 |
“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.