Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.48 |
| ▸ | DCPS | Q96C86 | 2/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2414865 | 0.85 | DHFR (0.41) | MPODCPSDHFRAPP | |
| SCHEMBL2325153 | 0.82 | ALDH1A1 (0.54) | DHFRCYP2D6APP | |
| SCHEMBL2418123 | 0.77 | DCPS (0.48) | DCPSDHFRCYP1A2 | |
| SCHEMBL27313299 | 0.74 | DCPS (0.55) | MPODCPSLTB4RCYP1A2APP | |
| SCHEMBL16943987 | 0.72 | MPO (0.53) | MPODCPSDHFRLTB4RCYP2D6 | |
| SCHEMBL935069 | 0.71 | LTB4R (0.47) | MPOLTB4RCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL28753649 | 0.69 | MPO (0.50) | MPODHFRLTB4RCYP2D6CYP1A2 | |
| SCHEMBL1154407 | 0.69 | DHFR (0.75) | DCPSDHFR | |
| SCHEMBL27660234 | 0.69 | MPO (0.61) | MPODHFRLTB4RCYP2D6CYP1A2 | |
| SCHEMBL10698612 | 0.67 | MPO (0.47) | MPOLTB4RCYP2D6CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8530650-B2 | 2, 5-diamino-substituted pyrido [4, 3-D] pyrimidines as autotaxin inhibitors against cancer | MERCK PATENT GMBH (DE) | 2013-09-10 | — | — | US | disclosed |
| US-20110237583-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG | 2011-09-29 | — | — | 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-20110237583-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | ENPP2, PLA2G4A, PLA2G4B | MPO 1931/4885DCPS 67/4885DHFR 488/4885 |
“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.