Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28003047 | 0.83 | CHRNA7 (0.38) | CHRNA7KCNH2 | |
| SCHEMBL25409001 | 0.83 | CHRNA7 (0.38) | CHRNA7KCNH2 | |
| SCHEMBL3196435 | 0.83 | CHRNA7 (0.38) | CHRNA7KCNH2 | |
| SCHEMBL30879748 | 0.82 | PARP1 (0.49) | CA1CA2CA4CA9 | |
| SCHEMBL29947951 | 0.81 | CA1 (0.38) | CA1CA2CA4CA9ADRB1 | |
| SCHEMBL2570483 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL2570484 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL18689125 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL24357910 | 0.78 | HTR2C (0.49) | CA1CA2CA4CA9 | |
| SCHEMBL4678845 | 0.77 | CA1 (0.36) | CA1CA2CA4CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2941432-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Inc. (US) | 2015-11-11 | — | — | EP | disclosed |
| WO-2014089379-A9 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-15 | — | — | WO | disclosed |
| WO-2014089379-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-12 | — | — | WO | disclosed |
| EP-1984355-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | Takeda Pharmaceutical Company Limited (JP) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007094513-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-23 | — | — | WO | disclosed |