Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2644511 | 0.83 | CCR1 (0.36) | CCR1KCNH2NOS3NOS1NOS2 | |
| SCHEMBL13180198 | 0.83 | NOS3 (0.50) | CCR1KCNH2NOS3NOS1NOS2 | |
| SCHEMBL27845925 | 0.81 | CCR1 (0.35) | CCR1KCNH2NOS3NOS1NOS2 | |
| SCHEMBL2644514 | 0.81 | LOXL2 (0.49) | CCR1KCNH2NOS3NOS1NOS2 | |
| SCHEMBL1874582 | 0.80 | CCR1 (0.35) | CCR1KCNH2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL568429 | 0.80 | LOXL2 (0.47) | NOS3NOS1NOS2LOXLOXL2 | |
| SCHEMBL18857808 | 0.79 | CCR1 (0.34) | CCR1KCNH2NOS3NOS1NOS2 | |
| SCHEMBL17000179 | 0.79 | KDM4E (0.43) | CCR1KCNH2KDM4EALDH1A1 | |
| SCHEMBL1870856 | 0.77 | CCR1 (0.40) | CCR1KCNH2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2170122 | 0.77 | LOXL2 (0.41) | KDM4EALDH1A1LOXLOXL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015175855-A1 | CHEMOKINE CXCR4 AND CCR5 RECEPTOR MODULATORS AND USED RELATED THERETO | EMORY UNIVERSITY (US) | 2015-11-19 | — | — | WO | disclosed |