Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | CA2 | P00918 | 6/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CCNC | P24863 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21161629 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL21161661 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL14313674 | 0.79 | CA12 (0.70) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL18360003 | 0.77 | TDP1 (0.56) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL20058924 | 0.77 | CA12 (0.53) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL25718673 | 0.77 | CA12 (0.53) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL23835564 | 0.76 | CA1 (0.61) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL29040473 | 0.76 | CA1 (0.61) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL16930099 | 0.76 | CA1 (0.61) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL4640090 | 0.76 | CA1 (0.61) | CA12CA1CA2CA9TDP1 |
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-3292120-B1 | TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS | HOFFMANN LA ROCHE (CH) | 2019-06-19 | — | — | EP | disclosed |