Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.51 |
| ▸ | CA1 | P00915 | 8/20 | 0.51 |
| ▸ | CA9 | Q16790 | 7/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.51 |
| ▸ | CA5A | P35218 | 4/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5808145 | 0.98 | CA2 (0.50) | CA2CA1CA9CA12CA5A | |
| Hydrochloric Acid SCHEMBL5808223 | 0.89 | CA2 (0.43) | CA2CA1CA9CA12CA5A | |
| SCHEMBL1116406 | 0.86 | CA2 (0.56) | CA2CA1CA9CA12CA5A | |
| SCHEMBL578653 | 0.85 | CA2 (0.47) | CA2CA1CA9CA12CA5A | |
| Ammonia Solution, Strong SCHEMBL28645552 | 0.85 | CA2 (0.55) | CA2CA1CA9CA12CA5A | |
| SCHEMBL3823918 | 0.84 | LRRK2 (0.44) | CA2CA1CA9CA12CA5A | |
| SCHEMBL401308 | 0.82 | CA2 (0.47) | CA2CA1CA9CA12CA5A | |
| SCHEMBL31310995 | 0.82 | CA2 (0.47) | CA2CA1CA9CA12CA5A | |
| Hydrochloric Acid SCHEMBL5808141 | 0.81 | CA1 (0.51) | CA2CA1CA9CA12CA5A | |
| SCHEMBL7370782 | 0.81 | CA12 (0.40) | CA2CA1CA9CA12ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121621-A1 | LXR AND FXR MODULATORS | Exelixis, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008073825-A1 | LXR AND FXR MODULATORS | EXELIXIS, INC. (US) | 2008-06-19 | — | — | WO | disclosed |