Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 6/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 6/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 2/20 | 0.30 |
| ▸ | BTK | Q06187 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30717 | 0.73 | LPL (0.40) | CA1CA2CA9CA12CA3 | |
| SCHEMBL25947685 | 0.73 | LPL (0.40) | CA1CA2CA9CA12CA3 | |
| SCHEMBL29967700 | 0.70 | HTR6 (0.51) | CA1CA2CA9HTR6JAK2 | |
| SCHEMBL17394178 | 0.70 | HTR6 (0.51) | CA1CA2CA9HTR6JAK2 | |
| SCHEMBL23658787 | 0.68 | HTR6 (0.44) | CA1CA2CA9CA12CA3 | |
| SCHEMBL30132976 | 0.68 | HTR6 (0.44) | CA1CA2CA9CA12CA3 | |
| SCHEMBL30132983 | 0.68 | HTR6 (0.44) | CA1CA2CA9CA12CA3 | |
| SCHEMBL28845961 | 0.68 | LPL (0.43) | LPLLIPG | |
| SCHEMBL3021478 | 0.67 | CA1 (0.40) | CA1CA2CA9CA12CA3 | |
| SCHEMBL27185327 | 0.67 | CA1 (0.43) | CA1CA2CA9CA12CA3 |
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-1664043-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028475-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-03-31 | — | — | WO | disclosed |