Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 12/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28389498 | 0.81 | NOTUM (0.70) | NOTUMBRD4HSD17B3HTR1ADRD2 | |
| SCHEMBL14599945 | 0.79 | CYP2D6 (0.48) | NOTUMCYP2D6CYP2C9BRD4HSD17B3 | |
| SCHEMBL14294095 | 0.78 | NOTUM (1.00) | NOTUMBRD4HSD17B3DRD2 | |
| SCHEMBL14599950 | 0.78 | CYP2D6 (0.60) | NOTUMCYP2D6CYP2C9BRD4HSD17B3 | |
| SCHEMBL14599967 | 0.77 | GAA (0.45) | NOTUMCYP2D6CYP2C9HSD17B3 | |
| SCHEMBL14599948 | 0.76 | XIAP (0.45) | NOTUMCYP2D6CYP2C9BRD4POLB | |
| SCHEMBL10192243 | 0.74 | NOTUM (0.64) | NOTUMBRD4HSD17B3HTR1ADRD2 | |
| SCHEMBL14543698 | 0.74 | NOTUM (0.64) | NOTUMBRD4HSD17B3HTR1ADRD2 | |
| SCHEMBL4130538 | 0.74 | NOTUM (0.64) | NOTUMBRD4HSD17B3HTR1ADRD2 | |
| SCHEMBL8482798 | 0.74 | NOTUM (0.69) | NOTUMCYP2D6BRD4HSD17B3HTR2A |
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-110804008-A | 1, 3-disubstituted indoline derivative and preparation method thereof | 陕西科技大学 | 2020-02-18 | — | — | CN | disclosed |