Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5662359 | 1.00 | CXCR4 (0.42) | CXCR4LTA4HPARP1 | |
| SCHEMBL1408398 | 0.94 | CXCR4 (0.44) | CXCR4LTA4HPARP1 | |
| Piperazine SCHEMBL11673759 | 0.92 | CXCR4 (0.46) | CXCR4LTA4HPARP1 | |
| SCHEMBL219819 | 0.85 | — | — | |
| SCHEMBL4743019 | 0.85 | — | — | |
| SCHEMBL4749933 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL30460597 | 0.83 | CXCR4 (0.38) | CXCR4LTA4HPARP1 | |
| Piperazine SCHEMBL10385674 | 0.83 | CXCR4 (0.41) | CXCR4LTA4HPARP1 | |
| Hydrochloric Acid SCHEMBL22122712 | 0.83 | CXCR4 (0.38) | CXCR4LTA4HPARP1 | |
| SCHEMBL9484397 | 0.83 | CXCR4 (0.41) | CXCR4LTA4HPARP1 |
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-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |