Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 11/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5854751 | 0.79 | ALDH1A1 (0.49) | NOTUMCYP11B1HCRTR1HCRTR2GRM1 | |
| SCHEMBL21486439 | 0.78 | NPC1 (0.45) | NOTUMCYP11B1HCRTR1HCRTR2GRM1 | |
| SCHEMBL30633068 | 0.76 | NOTUM (0.42) | NOTUMHCRTR1HCRTR2KEAP1CYP1A2 | |
| SCHEMBL1587098 | 0.76 | NOTUM (0.42) | NOTUMHCRTR1HCRTR2KEAP1CYP1A2 | |
| SCHEMBL30664780 | 0.75 | ALDH1A1 (0.52) | CYP11B1GRM1CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL12476256 | 0.74 | NOTUM (0.41) | NOTUMHCRTR1HCRTR2CYP1A2CYP2C9 | |
| SCHEMBL16113420 | 0.74 | NOTUM (0.47) | NOTUMHCRTR1HCRTR2KEAP1CYP1A2 | |
| SCHEMBL18284817 | 0.74 | NOTUM (0.43) | NOTUMKEAP1CYP1A2CYP2C9CHRNB2 | |
| SCHEMBL15552503 | 0.73 | KDM4E (0.42) | NOTUMCYP19A1 | |
| SCHEMBL16031459 | 0.73 | NOTUM (0.40) | NOTUMHCRTR1HCRTR2CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105308048-B | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-108864093-A | Substituted 2- Azabicyclic compound and their purposes as orexin receptor regulator | 詹森药业有限公司 | 2018-11-23 | — | — | CN | disclosed |