Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15866395 | 0.81 | CA1 (0.36) | CA1CA2CA9CA12CA3 | |
| SCHEMBL19190535 | 0.76 | CA1 (0.33) | CA1CA2CA9CA12CA3 | |
| SCHEMBL4441787 | 0.75 | CYP2C9 (0.41) | CA1CA2CA9HIF1A | |
| SCHEMBL4798623 | 0.75 | RAPGEF4 (0.39) | CA1CA2CA9CA12CA3 | |
| SCHEMBL14081665 | 0.73 | CYP1A2 (0.39) | CA1CA2CA9CA12CA3 | |
| SCHEMBL3030889 | 0.73 | HIF1A (0.37) | CA1CA2CA9CA12CA3 | |
| SCHEMBL20561771 | 0.73 | HIF1A (0.37) | CA1CA2CA9CA12HIF1A | |
| SCHEMBL20561766 | 0.71 | HIF1A (0.36) | CA1CA2CA9CA12HIF1A | |
| SCHEMBL878145 | 0.70 | F11 (0.34) | CA1CA2CA9CA12CA3 | |
| SCHEMBL1460470 | 0.69 | USP30 (0.39) | USP30HIF1A |
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-3305776-B1 | PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | VERTEX PHARMA (US) | 2019-09-25 | — | — | EP | disclosed |