Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL525238 | 0.93 | HRH3 (0.42) | TSHRHRH3CYP2D6CHRNA7KCNH2 | |
| SCHEMBL16869392 | 0.93 | HRH3 (0.42) | TSHRHRH3CYP2D6CHRNA7KCNH2 | |
| SCHEMBL23103479 | 0.93 | HRH3 (0.42) | TSHRHRH3CYP2D6CHRNA7KCNH2 | |
| SCHEMBL422753 | 0.89 | HRH3 (0.46) | HRH3CYP2D6CHRNA7KCNH2GPR119 | |
| SCHEMBL21145795 | 0.83 | TSHR (0.38) | TSHRHRH3CYP2D6KCNH2 | |
| SCHEMBL25955969 | 0.83 | TSHR (0.38) | TSHRHRH3CYP2D6KCNH2 | |
| SCHEMBL25956229 | 0.83 | TSHR (0.38) | TSHRHRH3CYP2D6KCNH2 | |
| SCHEMBL12026451 | 0.77 | HRH3 (0.40) | HRH3 | |
| SCHEMBL2603284 | 0.76 | CA12 (0.39) | TSHRHRH3 | |
| SCHEMBL681966 | 0.76 | CA12 (0.39) | TSHRHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3546458-B1 | ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER | TEIJIN PHARMA LTD (JP) | 2021-01-06 | — | — | EP | disclosed |