Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.67 |
| ▸ | CA1 | P00915 | 16/20 | 0.67 |
| ▸ | CA9 | Q16790 | 6/20 | 0.67 |
| ▸ | CA12 | O43570 | 3/20 | 0.67 |
| ▸ | CA6 | P23280 | 3/20 | 0.67 |
| ▸ | CA5A | P35218 | 2/20 | 0.67 |
| ▸ | CA7 | P43166 | 2/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.67 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27736704 | 0.82 | HTR6 (0.48) | CA2CA1CA9CA12CA6 | |
| SCHEMBL1425352 | 0.80 | CA2 (1.00) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8779847 | 0.80 | TTR (0.47) | CA2CA1CA9CA12CA6 | |
| SCHEMBL31060499 | 0.80 | CA2 (1.00) | CA2CA1CA9CA12CA6 | |
| SCHEMBL24633631 | 0.79 | CA2 (0.47) | CA2CA1CA9CA12CA6 | |
| SCHEMBL6118940 | 0.79 | CA1 (0.69) | CA2CA1CA9CA12CA6 | |
| SCHEMBL30335715 | 0.78 | CA2 (0.67) | CA2CA1CA9CA12CA6 | |
| SCHEMBL3363295 | 0.78 | CA2 (0.67) | CA2CA1CA9CA12CA6 | |
| Hydrochloric Acid SCHEMBL5798932 | 0.78 | CA2 (0.96) | CA2CA1CA9CA12CA6 | |
| SCHEMBL3979522 | 0.76 | CA1 (0.60) | CA2CA1CA9CA12CA6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2056829-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | Exelixis, Inc. (US) | 2009-05-13 | — | — | EP | claimed |
| WO-2008021389-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS, INC. (US) | 2008-02-21 | — | — | WO | claimed |
| EP-2139483-A2 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | Exelixis, Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008127594-A2 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS, INC. (US) | 2008-10-23 | — | — | WO | disclosed |