Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 6/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 2/20 | 0.33 |
| ▸ | FLT4 | P35916 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17649314 | 1.00 | KLKB1 (0.36) | KLKB1BRD4EGFRITGB3ITGAV | |
| SCHEMBL17647992 | 0.92 | ITGB3 (0.39) | EGFRITGB3ITGAVITGA2BFLT1 | |
| SCHEMBL29916260 | 0.92 | ITGB3 (0.39) | EGFRITGB3ITGAVITGA2BFLT1 | |
| SCHEMBL17648601 | 0.89 | FLT1 (0.35) | EGFRITGB3ITGAVITGA2BFLT1 | |
| SCHEMBL29916998 | 0.89 | FLT1 (0.35) | EGFRITGB3ITGAVITGA2BFLT1 | |
| SCHEMBL17646540 | 0.85 | SCN9A (0.36) | KLKB1THRATHRBSCN9A | |
| SCHEMBL29918033 | 0.85 | SCN9A (0.36) | KLKB1THRATHRBSCN9A | |
| SCHEMBL17647642 | 0.85 | ITGB3 (0.37) | EGFRITGB3ITGAVITGA2BFLT1 | |
| SCHEMBL29916262 | 0.85 | ITGB3 (0.37) | EGFRITGB3ITGAVITGA2BFLT1 | |
| SCHEMBL29917902 | 0.85 | ITGB3 (0.37) | EGFRITGB3ITGAVITGA2BFLT1 |
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-3798214-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2022-09-14 | — | — | EP | claimed |