Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4568646 | 0.87 | NFKB1 (0.58) | NFKB1LMNAKCNH3POLBTNNI3K | |
| SCHEMBL4544806 | 0.77 | NFKB1 (0.69) | NFKB1LMNAKCNH3POLBTNNI3K | |
| SCHEMBL17018656 | 0.77 | RHOA (0.68) | IDH2CA12CA2CA9TP53 | |
| SCHEMBL13401823 | 0.77 | NFKB1 (0.56) | NFKB1LMNAKCNH3POLBTNNI3K | |
| SCHEMBL15403837 | 0.77 | KCNH3 (0.57) | IDH2KCNH3CA1CA2CA9 | |
| SCHEMBL17018662 | 0.76 | SYK (0.51) | IDH2NFKB1LMNAGAAKCNH3 | |
| SCHEMBL17018659 | 0.76 | IDH2 (0.49) | IDH2NFKB1PTK2LMNAGAA | |
| SCHEMBL17714638 | 0.74 | IDH2 (0.44) | IDH2LMNAGAACA12CA1 | |
| SCHEMBL14583173 | 0.73 | NFKB1 (0.63) | NFKB1LMNAKCNH3POLBTNNI3K | |
| SCHEMBL19101480 | 0.73 | RAB9A (0.66) | IDH2NFKB1LMNAGAAKCNH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9346768-B2 | Molecular glasses with functionalizable groups | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENSE (CA) | 2016-05-24 | — | — | US | disclosed |
| US-9346768-B2 | Molecular glasses with functionalizable groups | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENSE (CA) | 2016-05-24 | — | — | US | disclosed |
| US-9328076-B2 | Molecular glasses with functionalizable groups | HER MAJESTY IN THE RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF DEFENSE (CA) | 2016-05-03 | — | — | US | disclosed |
| US-9328076-B2 | Molecular glasses with functionalizable groups | HER MAJESTY IN THE RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF DEFENSE (CA) | 2016-05-03 | — | — | US | disclosed |
| US-20150232433-A1 | Molecular Glasses With Functionalizable Groups | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 2015-08-20 | — | — | US | disclosed |
| US-20150232433-A1 | Molecular Glasses With Functionalizable Groups | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 2015-08-20 | — | — | 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-20150232433-A1 | Molecular Glasses With Functionalizable Groups | GDI1, GNG2, F12 | IDH2 3489/4885NFKB1 1431/4885PTK2 415/4885 |
“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.