Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.33 |
| ▸ | IDH1 | O75874 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16759849 | 1.00 | PDK2 (0.33) | PDK2HSD11B1IDH1KDM4E | |
| SCHEMBL16759875 | 0.83 | IDH1 (0.41) | HSD11B1IDH1KDM4E | |
| SCHEMBL22910767 | 0.83 | IDH1 (0.41) | HSD11B1IDH1KDM4E | |
| SCHEMBL22910820 | 0.82 | KDM4E (0.36) | PDK2HSD11B1IDH1KDM4E | |
| SCHEMBL18082352 | 0.82 | KDM4E (0.36) | PDK2HSD11B1IDH1KDM4E | |
| SCHEMBL16759902 | 0.77 | KMT2A (0.37) | PDK2IDH1 | |
| SCHEMBL22911063 | 0.77 | KMT2A (0.37) | PDK2IDH1 | |
| SCHEMBL22911062 | 0.75 | NPC1 (0.46) | — | |
| SCHEMBL16759836 | 0.75 | NPC1 (0.46) | — | |
| SCHEMBL16759830 | 0.74 | PDE2A (0.39) | HSD11B1IDH1KDM4E |
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-20210015792-A1 | OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL | HOFFMANN-LA ROCHE INC. (US) | 2021-01-21 | — | — | 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-20210015792-A1 | OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL | NPY1R, NPY2R, DECR1 | PDK2 984/4885HSD11B1 345/4885IDH1 1323/4885 |
“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.