Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 8/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4798623 | 0.87 | RAPGEF4 (0.39) | RAPGEF4MAPTNPSR1HTTTDP1 | |
| SCHEMBL16207740 | 0.86 | CA1 (0.37) | RAPGEF4F2PRSS1PRSS2PRSS3 | |
| SCHEMBL4441787 | 0.74 | CYP2C9 (0.41) | MAPTGAAKMT2AMEN1KDM4E | |
| SCHEMBL15866395 | 0.68 | CA1 (0.36) | F2PRSS1PRSS2PRSS3F11 | |
| SCHEMBL14487909 | 0.67 | ELANE (0.38) | RAPGEF4NPSR1ALDH1A1KMT2AKDM4E | |
| SCHEMBL28897192 | 0.67 | ELANE (0.38) | RAPGEF4NPSR1KMT2AMEN1KDM4E | |
| SCHEMBL3030889 | 0.65 | HIF1A (0.37) | MAPTNPSR1TDP1GAAALDH1A1 | |
| SCHEMBL16318681 | 0.65 | ALDH1A1 (0.37) | RAPGEF4GAAALDH1A1F2PRSS1 | |
| SCHEMBL16034457 | 0.65 | TPMT (0.52) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL3232840 | 0.64 | USP30 (0.38) | F2PRSS1PRSS2PRSS3F11 |
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 |