Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227578 | 0.92 | KEAP1 (0.42) | KEAP1NFE2L2DHODHHSP90AA1VDR | |
| SCHEMBL2658133 | 0.81 | KEAP1 (0.42) | KEAP1NFE2L2DHODHHSP90AA1VDR | |
| SCHEMBL2658907 | 0.80 | KEAP1 (0.41) | KEAP1NFE2L2DHODHHSP90AA1VDR | |
| SCHEMBL2646994 | 0.80 | KEAP1 (0.43) | KEAP1NFE2L2DHODHHSP90AA1VDR | |
| SCHEMBL2657024 | 0.69 | KEAP1 (0.40) | KEAP1NFE2L2VDRALDH1A1KMT2A | |
| SCHEMBL2653010 | 0.69 | KEAP1 (0.41) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL7080379 | 0.68 | CYP2C19 (0.42) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL2657167 | 0.67 | KEAP1 (0.38) | KEAP1NFE2L2VDRLMNAALDH1A1 | |
| SCHEMBL2653495 | 0.66 | GABRG2 (0.56) | — | |
| SCHEMBL16111000 | 0.65 | KEAP1 (0.51) | KEAP1NFE2L2VDRLMNAMAPK1 |
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-20030060467-A1 | Pyrazolo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2003-03-27 | — | — | 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-20030060467-A1 | Pyrazolo-triazine derivatives as ligands for gaba receptors | GABRA5, GABRA3, GABRA4 | KEAP1 1809/4885NFE2L2 3035/4885DHODH 3026/4885 |
“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.