Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | MIF | P14174 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL952642 | 0.80 | PDE5A (0.38) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL6490727 | 0.79 | PDE5A (0.44) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL5847847 | 0.78 | MIF (0.44) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL13257675 | 0.76 | PDE5A (0.38) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL15742623 | 0.76 | PDE5A (0.38) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL3319530 | 0.76 | EGFR (0.45) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL6489453 | 0.76 | PDE4B (0.56) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL6494091 | 0.76 | PDE5A (0.36) | PDE5APDE4BMIFPDE3AADORA2A | |
| SCHEMBL6489300 | 0.76 | DRD4 (0.38) | PDE5APDE4BMIFPDE3AADORA2A | |
| Hydrochloric Acid SCHEMBL7827492 | 0.74 | EGFR (0.44) | PDE5APDE4BMIFPDE3AADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | US | disclosed |
| 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 |