Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.30 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.30 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.30 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.30 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.30 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29628351 | 0.85 | ALPL (0.37) | ALPLALDH1A1KDM4E | |
| SCHEMBL28698727 | 0.79 | TSHR (0.45) | ALDH1A1DHODH | |
| SCHEMBL31055665 | 0.77 | ACLY (0.36) | CYP3A4KEAP1NFE2L2DYRK1AACLY | |
| Hydrochloric Acid SCHEMBL25234535 | 0.75 | ACLY (0.36) | CYP3A4KEAP1NFE2L2DYRK1AACLY | |
| SCHEMBL21250750 | 0.72 | NOTUM (0.40) | CYP3A4KEAP1NFE2L2DYRK1ANOTUM | |
| SCHEMBL29628309 | 0.70 | HSD17B10 (0.42) | DHODHKDM4E | |
| SCHEMBL25238175 | 0.69 | DYRK1A (0.46) | CYP3A4DYRK1APRKAG1PRKAA1PRKAB1 | |
| SCHEMBL25233661 | 0.69 | MGLL (0.48) | CYP3A4KEAP1DYRK1ANOTUMALDH1A1 | |
| SCHEMBL31055678 | 0.69 | KEAP1 (0.41) | CYP3A4KEAP1NFE2L2ALDH1A1TP53 | |
| SCHEMBL27887500 | 0.69 | KEAP1 (0.41) | CYP3A4KEAP1NFE2L2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3997096-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2024-08-28 | — | — | EP | disclosed |
| US-20220242876-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2022-08-04 | — | — | 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-20220242876-A1 | HETEROCYCLIC COMPOUNDS | CYP1B1, CYP1A1, CYP1A2 | CYP3A4 11/4885KEAP1 227/4885NFE2L2 489/4885 |
“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.