Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.47 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 6/20 | 0.40 |
| ▸ | GSK3B | P49841 | 6/20 | 0.40 |
| ▸ | FLT3 | P36888 | 5/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.40 |
| ▸ | STK17B | O94768 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL29222086 | 0.82 | GSK3A (0.59) | S100A4MAP3K14CCNE1CDK2SRC | |
| SCHEMBL29222046 | 0.82 | GSK3A (0.59) | S100A4MAP3K14CCNE1CDK2SRC | |
| SCHEMBL29222033 | 0.79 | GSK3A (0.61) | S100A4MAP3K14HTR6ALDH1A1HSD17B10 | |
| SCHEMBL29222070 | 0.78 | CDK5 (0.62) | S100A4CCNE1CDK2SRCCTRB1 | |
| SCHEMBL13323651 | 0.76 | HTR6 (0.63) | MAP3K14HTR6SLC6A4IDO1 | |
| SCHEMBL20846152 | 0.76 | HTR6 (0.51) | MAP3K14HTR6SLC6A4CAMK2DMGAM | |
| SCHEMBL20846194 | 0.76 | HTR6 (0.51) | MAP3K14HTR6SLC6A4MEN1KMT2A | |
| Indoxyl Red SCHEMBL22890564 | 0.76 | S100A4 (0.71) | S100A4CCNE1CDK2SRCCTRB1 | |
| Indoxyl Red SCHEMBL30636774 | 0.76 | S100A4 (0.71) | S100A4CCNE1CDK2SRCCTRB1 | |
| SCHEMBL29222205 | 0.75 | GSK3A (0.59) | S100A4CCNE1CDK2SRCCTRB1 |
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-118125960-A | Bisindole 3-ketone compound, application and preparation method thereof | 云南农业大学 | 2024-06-04 | — | — | CN | disclosed |