Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.45 |
| ▸ | FPR1 | P21462 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 2/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326106 | 0.87 | CASP3 (0.47) | CASP3CASP1FPR2FPR1ALDH1A1 | |
| SCHEMBL4480037 | 0.85 | CASP3 (0.45) | CASP3CASP1FPR2FPR1ALDH1A1 | |
| SCHEMBL13887434 | 0.85 | CASP3 (0.45) | CASP3CASP1FPR2FPR1ALDH1A1 | |
| SCHEMBL4487001 | 0.84 | FPR2 (0.53) | CASP3CASP1FPR2FPR1 | |
| SCHEMBL4338889 | 0.83 | CCR1 (0.48) | CASP3FPR2FPR1ALDH1A1GAA | |
| SCHEMBL14601912 | 0.82 | F10 (0.43) | CASP3CASP1FPR2FPR1CTSL | |
| SCHEMBL4472817 | 0.82 | F10 (0.43) | CASP3CASP1FPR2FPR1CTSL | |
| SCHEMBL4489323 | 0.82 | FPR2 (0.55) | CASP3FPR2FPR1 | |
| SCHEMBL5179660 | 0.80 | CTSL (0.51) | CASP3FPR2FPR1ALDH1A1GAA | |
| SCHEMBL13043811 | 0.80 | CASP3 (0.53) | CASP3CASP1ALDH1A1GAACTSL |
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 |
|---|---|---|---|---|---|---|---|
| US-7157470-B2 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |
| US-7157470-B2 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |
| WO-2004041776-A2 | SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-21 | — | — | WO | disclosed |