Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1869960 | 0.82 | MME (0.51) | CTSSCTSKFPR2 | |
| SCHEMBL3975272 | 0.82 | MME (0.51) | CTSSCTSKFPR2 | |
| SCHEMBL5262284 | 0.81 | SIGMAR1 (0.56) | CTSBCTSSCTSKPTGESCTSL | |
| SCHEMBL27220740 | 0.81 | SIGMAR1 (0.56) | CTSBCTSSCTSKPTGESCTSL | |
| SCHEMBL6032488 | 0.79 | GRIA2 (0.48) | CTSBCTSSCTSKPTGESCTSL | |
| SCHEMBL6477209 | 0.78 | PTGES (0.48) | CTSBCTSSCTSKPTGESCTSL | |
| SCHEMBL4187293 | 0.78 | CA2 (0.38) | FPR2 | |
| SCHEMBL14999576 | 0.77 | CTSB (0.52) | CTSBCTSSCTSKPTGESCTSL | |
| SCHEMBL3471743 | 0.76 | HCAR2 (0.47) | PTGESSIGMAR1EGFRERBB2 | |
| SCHEMBL1935741 | 0.76 | MME (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |