Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 14/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | UBE2N | P61088 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10447781 | 0.75 | NOTUM (0.78) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL31588577 | 0.73 | NOTUM (0.45) | NOTUM | |
| SCHEMBL31638362 | 0.73 | NOTUM (0.54) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL12376575 | 0.73 | NOTUM (0.63) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL1124165 | 0.73 | KCNJ1 (0.59) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL10980403 | 0.73 | NOTUM (0.70) | NOTUMKEAP1CNR1CYP1A2CYP2C9 | |
| SCHEMBL10933201 | 0.71 | NOTUM (1.00) | NOTUMKEAP1 | |
| SCHEMBL1186707 | 0.70 | NOTUM (0.64) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL21777006 | 0.70 | NOTUM (1.00) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL6852779 | 0.70 | NOTUM (0.50) | NOTUMKEAP1CYP19A1 |
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-106164047-B | 1,2- substituted cyclopentane as orexin receptor antagonists | 武田药品工业株式会社 | 2019-04-16 | — | — | CN | disclosed |
| CN-106164047-A | 1,2 substituted cyclopentanes as orexin receptor antagonists | 武田药品工业株式会社 | 2016-11-23 | — | — | CN | disclosed |