Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19014091 | 0.90 | EPHX2 (0.37) | EPHX2NPC1NAMPT | |
| SCHEMBL20682275 | 0.81 | CHRNB2 (0.36) | EPHX2CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL19014100 | 0.77 | CCR2 (0.33) | CCR2 | |
| SCHEMBL19013719 | 0.77 | NPC1 (0.39) | EPHX2NPC1 | |
| SCHEMBL14211346 | 0.76 | CHRNB2 (0.61) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL20743113 | 0.75 | MEN1 (0.48) | EPHX2 | |
| SCHEMBL31655313 | 0.75 | EPHX2 (0.37) | EPHX2CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL20682211 | 0.74 | NPC1 (0.40) | EPHX2NPC1 | |
| SCHEMBL19013649 | 0.74 | NPC1 (0.38) | EPHX2CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL19014535 | 0.74 | CCR2 (0.43) | CCR2 |
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-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |