Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 3/20 | 0.36 |
| ▸ | CTSL | P07711 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 4/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29179933 | 0.93 | LIPE (0.38) | LIPECTSLCTSKCTSBCA1 | |
| SCHEMBL1576452 | 0.84 | CTSK (0.40) | LIPECTSLCTSKCTSBCA1 | |
| SCHEMBL477283 | 0.84 | LIPE (0.42) | LIPECTSLCTSKCTSBCA1 | |
| SCHEMBL7365934 | 0.83 | LIPE (0.44) | LIPECTSLCTSKCTSBCA1 | |
| SCHEMBL694641 | 0.83 | LIPE (0.44) | LIPECTSLCTSKCTSBCA1 | |
| SCHEMBL28275434 | 0.77 | LIPE (0.38) | LIPECA2 | |
| SCHEMBL25892284 | 0.75 | CTSK (0.35) | LIPECTSKCA1CA2NFKB1 | |
| SCHEMBL7151133 | 0.74 | GNAI3 (0.38) | LIPECTSLCTSKCTSBCA1 | |
| SCHEMBL5675578 | 0.73 | EPHX2 (0.36) | LIPECTSKCA1CA2PREP | |
| SCHEMBL28702168 | 0.73 | USP2 (0.39) | LIPECTSLCTSKCTSBCA1 |
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-2300456-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | Allergan, Inc. (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009143058-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-11-26 | — | — | WO | disclosed |