Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PIP5K1C | O60331 | 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 | |
|---|---|---|---|---|
| SCHEMBL28756706 | 0.83 | AR (0.36) | CYP11B1CYP11B2PIK3CDPIK3R1AR | |
| SCHEMBL28756772 | 0.80 | HDAC1 (0.38) | — | |
| SCHEMBL20606168 | 0.75 | HDAC1 (0.38) | ALOX5AP | |
| SCHEMBL20605141 | 0.72 | HSD11B1 (0.55) | ABL1SRCPIK3CB | |
| SCHEMBL23799893 | 0.69 | GRIN2B (0.51) | — | |
| SCHEMBL20605075 | 0.67 | MET (0.48) | — | |
| SCHEMBL28756734 | 0.67 | F11 (0.40) | — | |
| SCHEMBL28511602 | 0.66 | GRIN2B (0.53) | — | |
| SCHEMBL20605390 | 0.64 | DUT (0.41) | — | |
| SCHEMBL20604871 | 0.64 | GLO1 (0.53) | SMN1; SMN2 |
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-109153643-B | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2022-06-21 | — | — | CN | disclosed |