Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL12529444 | 0.78 | DYRK1A (0.62) | CYP2A6DYRK1BDYRK1A | |
| SCHEMBL12632147 | 0.78 | KIF11 (0.50) | DYRK1BDYRK1A | |
| SCHEMBL26781853 | 0.72 | HSD17B1 (0.41) | CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL12529424 | 0.71 | HDAC6 (0.43) | CYP2A6DYRK1BDYRK1A | |
| SCHEMBL14817169 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL24037300 | 0.68 | HRH4 (0.36) | CYP2A6 | |
| SCHEMBL18858485 | 0.68 | ALAD (0.47) | CYP2A6 | |
| SCHEMBL24037301 | 0.68 | COMT (0.36) | — | |
| SCHEMBL12529448 | 0.68 | ALAD (0.47) | — | |
| SCHEMBL12632125 | 0.67 | PDE10A (0.42) | CYP2A6GRM5 |
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-11814379-B2 | Cyano quinoline amide compounds as HER2 inhibitors and methods of use | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-11-14 | — | — | 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-11814379-B2 | Cyano quinoline amide compounds as HER2 inhibitors and methods of use | ERBB2, EGFR, ERBB3 | CYP2A6 2200/4885DYRK1B 735/4885DYRK1A 727/4885 |
“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.