Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.37 |
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441787 | 0.87 | CYP2C9 (0.41) | CA1CA2CA9HIF1AL3MBTL1 | |
| SCHEMBL21373140 | 0.86 | RAPGEF4 (0.42) | F2F11PRSS1PRSS2PRSS3 | |
| SCHEMBL14487909 | 0.81 | ELANE (0.38) | CA1CA2CA9ELANEPRTN3 | |
| SCHEMBL28897192 | 0.81 | ELANE (0.38) | CA1CA2CA9ELANEPRTN3 | |
| SCHEMBL16318681 | 0.80 | ALDH1A1 (0.37) | CA1CA2CA9ELANEPRTN3 | |
| SCHEMBL4798623 | 0.74 | RAPGEF4 (0.39) | CA1CA2CA9HIF1AMMP2 | |
| SCHEMBL20585436 | 0.73 | PTPN11 (0.40) | CA1CA2CA9HIF1AL3MBTL1 | |
| SCHEMBL19922286 | 0.72 | KMT2A (0.39) | CA1CA2ELANEPRTN3MMP2 | |
| SCHEMBL3030889 | 0.72 | HIF1A (0.37) | CA1CA2CA9HIF1AL3MBTL1 | |
| SCHEMBL14857832 | 0.72 | CA1 (0.47) | CA1CA2CA9ELANEPRTN3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3943489-A1 | PYRROLE INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO | Vertex Pharmaceuticals Incorporated (US) | 2022-01-26 | — | — | EP | disclosed |
| EP-3608315-A1 | PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | Vertex Pharmaceuticals Incorporated (US) | 2020-02-12 | — | — | EP | disclosed |
| EP-3305776-A1 | PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | Vertex Pharmaceuticals Incorporated (US) | 2018-04-11 | — | — | EP | disclosed |
| EP-2799434-B1 | Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds | VERTEX PHARMA (US) | 2017-08-02 | — | — | EP | disclosed |
| EP-2799434-A1 | Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds | Vertex Pharmaceuticals Incorporated (US) | 2014-11-05 | — | — | EP | disclosed |