Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.48 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | PTPRB | P23467 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20178524 | 0.82 | CA2 (0.64) | CA2CA1CA9CA14CA7 | |
| SCHEMBL10666557 | 0.81 | CA2 (0.65) | CA2CA1CA9CA14CA7 | |
| SCHEMBL5283845 | 0.81 | CA2 (0.44) | CA2CA1CA9CA14CA4 | |
| SCHEMBL14267967 | 0.81 | ADRB2 (0.48) | CA2CA1CA9CA14CA7 | |
| SCHEMBL2007165 | 0.80 | CA2 (0.55) | CA2CA1CA9CA14CA7 | |
| SCHEMBL27919354 | 0.80 | HTR6 (0.56) | CA2CA1CA9CA14CA7 | |
| SCHEMBL5262052 | 0.80 | HTR6 (0.57) | CA2CA1CA9CA14CA7 | |
| SCHEMBL19333407 | 0.79 | CA2 (0.63) | CA2CA1CA9CA7CA12 | |
| SCHEMBL5436203 | 0.79 | CA2 (0.64) | CA2CA1CA9CA14CA7 | |
| SCHEMBL4807703 | 0.79 | ADRB2 (0.51) | CA2CA1CA9CA14CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107624113-A | Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2018-01-23 | — | — | CN | disclosed |