Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 9/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 9/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20159687 | 0.78 | NR1H2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL20159656 | 0.78 | CHRNA3 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL23504817 | 0.78 | HCRTR1 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4HCRTR1 | |
| SCHEMBL23504791 | 0.76 | MMP2 (0.32) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL18970901 | 0.74 | CHRM4 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL20609193 | 0.74 | CHRM4 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL20031740 | 0.74 | CHRM4 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL20609194 | 0.74 | CHRM4 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL18952559 | 0.74 | CHRM4 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CYP17A1 | |
| SCHEMBL20159356 | 0.72 | CHRM4 (0.32) | CYP17A1LOXLOXL3LOXL2 |
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-2018087018-A1 | PHENOXYTRIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-17 | — | — | WO | disclosed |