Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 2/20 | 0.33 |
| ▸ | FLT4 | P35916 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6494091 | 0.82 | PDE5A (0.36) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL4183274 | 0.80 | EGFR (0.36) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL16739779 | 0.80 | EGFR (0.36) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL6629043 | 0.79 | ALDH1A1 (0.36) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL21863677 | 0.79 | EGFR (0.41) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL6480217 | 0.75 | EGFR (0.35) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL1504722 | 0.75 | ADAM17 (0.36) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL31597368 | 0.75 | DRD2 (0.34) | EGFRGSK3BADORA2AADORA1RAF1 | |
| SCHEMBL16223183 | 0.73 | MIF (0.44) | EGFRGSK3BADORA2AADORA1FLT1 | |
| SCHEMBL6490723 | 0.72 | PDE5A (0.41) | EGFRGSK3BADORA2AADORA1RAF1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373199-A4 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1373199-A2 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | Bristol-Myers Squibb Pharma Company (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002074738-A2 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-09-26 | — | — | WO | disclosed |