Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 6/20 | 0.32 |
| ▸ | NOS3 | P29474 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 5/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
| ▸ | GABRE | P78334 | 1/20 | 0.30 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL793240 | 0.85 | NOS2 (0.41) | NOS2NOS3NOS1 | |
| SCHEMBL8278194 | 0.71 | CCR1 (0.39) | KDM4E | |
| Trifluoroacetic Acid SCHEMBL1846801 | 0.70 | NOS2 (0.64) | CXCR4NOS2NOS3NOS1 | |
| Trifluoroacetic Acid SCHEMBL27659159 | 0.69 | CXCR4 (0.42) | CXCR4NOS2NOS3NOS1GABRP | |
| SCHEMBL12843993 | 0.68 | NOS2 (0.63) | NOS2NOS3NOS1 | |
| Trifluoroacetic Acid SCHEMBL14842738 | 0.68 | NOS2 (0.41) | CXCR4NOS2NOS3NOS1 | |
| Trifluoroacetic Acid SCHEMBL18300447 | 0.68 | KLKB1 (0.41) | CXCR4 | |
| Trifluoroacetic Acid SCHEMBL2723371 | 0.67 | HSP90AB1 (0.55) | KDM4E | |
| Trifluoroacetic Acid SCHEMBL17221097 | 0.67 | KLKB1 (0.40) | CXCR4 | |
| SCHEMBL5673354 | 0.66 | NOS2 (0.67) | NOS2NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103209695-A | Azabenzothiazole compounds, compositions and methods of use | HOFFMANN LA ROCHE | 2013-07-17 | — | — | CN | disclosed |