Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.77 |
| ▸ | GSK3A | P49840 | 2/20 | 0.73 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.73 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.73 |
| ▸ | EGFR | P00533 | 2/20 | 0.68 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.62 |
| ▸ | SRC | P12931 | 2/20 | 0.62 |
| ▸ | P2RY2 | P41231 | 2/20 | 0.62 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.62 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.62 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.62 |
| ▸ | LDHA | P00338 | 1/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.62 |
| ▸ | FBP1 | P09467 | 1/20 | 0.62 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.62 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL14025772 | 1.00 | ABCB1 (0.77) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL14025761 | 0.91 | GSK3A (0.68) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL4915849 | 0.91 | GSK3A (0.68) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL441535 | 0.90 | ABCB1 (0.77) | ABCB1GSK3ARPS6KA3MAPK14P2RY1 | |
| SCHEMBL11644877 | 0.90 | ABCB1 (0.77) | ABCB1GSK3ARPS6KA3MAPK14P2RY1 | |
| SCHEMBL14025763 | 0.90 | ABCB1 (0.72) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL14025756 | 0.90 | ABCB1 (0.72) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL337873 | 0.88 | ABCB1 (0.75) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL1271978 | 0.88 | ABCB1 (0.85) | ABCB1GSK3ARPS6KA3MAPK14EGFR | |
| SCHEMBL6425805 | 0.88 | ABCB1 (0.74) | ABCB1GSK3ARPS6KA3MAPK14EGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-20080261821-A1 | Mechanism-Based Crosslinkers | THE REGENTS OF TE UNIVERSITY OF CALIFORNIA (US) | 2008-10-23 | — | — | US | disclosed |
| WO-2006012624-A2 | MECHANISM-BASED CROSSLINKERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-02-02 | — | — | WO | disclosed |