Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.47 |
| ▸ | CA2 | P00918 | 12/20 | 0.47 |
| ▸ | CA9 | Q16790 | 12/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | LPL | P06858 | 4/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL13695099 | 0.84 | CYP3A4 (0.54) | CA1CA2CA9CA12CA3 | |
| SCHEMBL2547389 | 0.84 | ALDH1A1 (0.50) | CA1CA2CA9CA12CA3 | |
| SCHEMBL1721974 | 0.82 | ALDH1A1 (0.53) | CA1CA2CA9CA12CA3 | |
| SCHEMBL4967048 | 0.81 | CA1 (0.49) | CA1CA2CA9CA12CA3 | |
| SCHEMBL13604136 | 0.79 | ALDH1A1 (0.68) | CA1CA2CA9LPLLIPG | |
| SCHEMBL4782876 | 0.79 | CA1 (0.48) | CA1CA2CA9CA12CA3 | |
| SCHEMBL15655883 | 0.78 | SIGMAR1 (0.59) | ALDH1A1 | |
| SCHEMBL13604125 | 0.78 | ALDH1A1 (0.58) | CA1CA2CA9CYP2D6LPL | |
| SCHEMBL13604129 | 0.78 | MEN1 (0.59) | CA1CA2CA9LPLLIPG | |
| SCHEMBL13604114 | 0.77 | ALDH1A1 (0.56) | CA1CA2CA9LPLLIPG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1962851-A2 | COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007076320-A2 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |
| WO-2007076320-A2 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |