Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL18017351 | 0.79 | UHRF1 (0.45) | CHRNB2CHRNA4NOTUMPDK2PDK4 | |
| SCHEMBL21355347 | 0.76 | NOS3 (0.54) | CHRNB2CHRNA4KDM4E | |
| SCHEMBL31064789 | 0.72 | NOTUM (0.33) | CHRNB2CHRNA4NOTUMPDK2PDK4 | |
| SCHEMBL9133817 | 0.71 | — | — | |
| SCHEMBL20642433 | 0.71 | CHRNB2 (0.31) | CHRNB2CHRNA4NOTUMPDK2PDK4 | |
| SCHEMBL31064777 | 0.69 | CNR2 (0.35) | CHRNB2CHRNA4NOTUMPDK2PDK4 | |
| SCHEMBL25778899 | 0.67 | HTR2C (0.33) | NOTUMPDK2PDK4KDM4EHTT | |
| SCHEMBL21212290 | 0.67 | UHRF1 (0.40) | NOTUMPDK2PDK4CNR2KDM4E | |
| SCHEMBL12642658 | 0.67 | NOTUM (0.41) | NOTUMPDK2PDK4 | |
| SCHEMBL21081167 | 0.66 | HTR2C (0.46) | — |
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-2018015410-A1 | BICYCLIC PROLINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-25 | — | — | WO | disclosed |