Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 15/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL28506122 | 0.77 | MAPK1 (0.46) | NOTUMHCRTR1HCRTR2 | |
| SCHEMBL28511732 | 0.76 | ALDH1A1 (0.47) | NOTUM | |
| SCHEMBL1586846 | 0.76 | NOTUM (0.44) | NOTUMKEAP1EGLN2HCRTR1HCRTR2 | |
| SCHEMBL241942 | 0.74 | NOTUM (0.50) | NOTUMKEAP1CYP1A2CYP2C9CHRNB2 | |
| SCHEMBL16113420 | 0.71 | NOTUM (0.47) | NOTUMKEAP1CYP1A2CYP2C9CHRNB2 | |
| SCHEMBL18378736 | 0.71 | NOTUM (0.47) | NOTUMKEAP1CYP1A2CYP2C9CHRNB2 | |
| SCHEMBL28509696 | 0.71 | — | — | |
| SCHEMBL9685417 | 0.70 | GAA (0.40) | CYP1A2CYP2C19 | |
| SCHEMBL586173 | 0.69 | NOTUM (0.40) | NOTUMKEAP1CYP1A2CYP2C9CHRNB2 | |
| SCHEMBL1836207 | 0.69 | IDO1 (0.50) | NOTUMCYP1A2CYP2C9CYP2C19CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026067-B | 6-amino-quinoline-3-carbonitriles as COT modulators | 吉利德科学公司 | 2021-01-12 | — | — | CN | disclosed |