Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.69 |
| ▸ | PTGER3 | P43115 | 16/20 | 0.48 |
| ▸ | PTGER2 | P43116 | 15/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 13/20 | 0.48 |
| ▸ | PTGDR | Q13258 | 5/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 7/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | PTGFR | P43088 | 3/20 | 0.44 |
| ▸ | PTGIR | P43119 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL21507145 | 0.85 | BACE1 (0.64) | BACE1TBXAS1CA1CA2HTT | |
| SCHEMBL4603138 | 0.84 | BACE1 (0.51) | BACE1PTGER3PTGER2PTGER4PTGDR | |
| SCHEMBL4603145 | 0.84 | BACE1 (0.51) | BACE1PTGER3PTGER2PTGER4PTGDR | |
| SCHEMBL3217389 | 0.82 | BACE1 (1.00) | BACE1 | |
| SCHEMBL3217379 | 0.82 | BACE1 (1.00) | BACE1 | |
| SCHEMBL2082920 | 0.80 | BACE1 (0.56) | BACE1HTT | |
| SCHEMBL30219107 | 0.80 | BACE1 (0.56) | BACE1HTT | |
| SCHEMBL14879795 | 0.80 | KDM4E (0.51) | BACE1PTGER3PTGER2PTGER4PTGER1 | |
| SCHEMBL14879794 | 0.80 | KDM4E (0.51) | BACE1PTGER3PTGER2PTGER4PTGER1 | |
| SCHEMBL9319637 | 0.78 | BACE1 (0.56) | BACE1 |
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-109415368-B | Carboxy 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2021-04-30 | — | — | CN | disclosed |