Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3750053 | 0.75 | PARP1 (0.35) | PARP1PARP2RPS6KB1 | |
| SCHEMBL3756206 | 0.73 | PARP1 (0.36) | PARP1PARP2RPS6KB1 | |
| SCHEMBL3749097 | 0.72 | PARP1 (0.38) | PARP1PARP2 | |
| SCHEMBL3746699 | 0.71 | PARP1 (0.40) | PARP1PARP2 | |
| SCHEMBL3178005 | 0.67 | NPC1 (0.34) | PARP1 | |
| SCHEMBL3748780 | 0.67 | IKBKB (0.38) | RPS6KB1 | |
| SCHEMBL4250864 | 0.66 | PDPK1 (0.38) | PARP1 | |
| SCHEMBL3754819 | 0.65 | PARP1 (0.35) | PARP1 | |
| SCHEMBL3750551 | 0.65 | PARP1 (0.34) | PARP1PARP2 | |
| SCHEMBL3751235 | 0.65 | PARP1 (0.39) | PARP1PARP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1828177-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2007-09-05 | — | — | EP | claimed |
| WO-2006066173-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2006-06-22 | — | — | WO | claimed |
| EP-1828177-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006066173-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2006-06-22 | — | — | WO | disclosed |