Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.52 |
| ▸ | CA1 | P00915 | 11/20 | 0.52 |
| ▸ | CA12 | O43570 | 10/20 | 0.46 |
| ▸ | CA9 | Q16790 | 9/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL2007165 | 0.86 | CA2 (0.55) | CA2CA1CA12CA9CA4 | |
| SCHEMBL13141168 | 0.81 | CA1 (0.61) | CA2CA1CA12CA9CA4 | |
| SCHEMBL22480986 | 0.78 | CA1 (0.54) | CA2CA1CA12CA9CA4 | |
| SCHEMBL2005567 | 0.77 | CA2 (0.61) | CA2CA1CA12CA9CA4 | |
| SCHEMBL8622829 | 0.76 | CA1 (0.47) | CA2CA1CA12CA9CA4 | |
| SCHEMBL28707450 | 0.75 | CA1 (0.50) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1795003 | 0.74 | CA2 (0.64) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1775181 | 0.74 | CA2 (0.64) | CA2CA1CA12CA9CA4 | |
| SCHEMBL28202089 | 0.74 | CA2 (0.48) | CA2CA1CA12CA9CA4 | |
| SCHEMBL21962683 | 0.74 | CA2 (0.44) | CA2CA1CA12CA9CA4 |
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-2351745-A1 | Pyrazine derivatives and use as PI3K inhibitors | Merck Serono S.A. (CH) | 2011-08-03 | — | — | EP | disclosed |