Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.57 |
| ▸ | BRD4 | O60885 | 6/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BRD2 | P25440 | 2/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.39 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 2/20 | 0.37 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28356954 | 0.79 | NOTUM (0.64) | NOTUMBRD4HSD17B3 | |
| SCHEMBL24347338 | 0.78 | HSD17B3 (0.45) | NOTUMBRD4HSD17B3CYP11B1CYP11B2 | |
| SCHEMBL28360648 | 0.78 | NOTUM (0.62) | NOTUMBRD4HSD17B3DRD2 | |
| SCHEMBL14294095 | 0.73 | NOTUM (1.00) | NOTUMBRD4HSD17B3ALDH1A1DRD2 | |
| SCHEMBL31129829 | 0.73 | NOTUM (0.56) | NOTUMBRD4 | |
| SCHEMBL28360647 | 0.73 | NOTUM (0.56) | NOTUMALDH1A1 | |
| SCHEMBL20571696 | 0.72 | GPR119 (0.47) | — | |
| SCHEMBL3457235 | 0.72 | NOTUM (0.65) | NOTUMHSD17B3CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL31130045 | 0.71 | NOTUM (0.54) | NOTUMBRD4ALDH1A1XIAPBIRC2 | |
| SCHEMBL17594391 | 0.70 | BRD4 (0.61) | NOTUMBRD4BRD2BRD3 |
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 |