Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL28164437 | 0.81 | NR3C1 (0.56) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL28743556 | 0.77 | NR3C1 (0.47) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL13085560 | 0.75 | NR3C1 (0.61) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL2262612 | 0.71 | BACE1 (0.53) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL21779263 | 0.70 | NR3C1 (0.60) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL22001247 | 0.70 | NR3C1 (0.56) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL19187519 | 0.70 | NR3C1 (0.56) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL28743516 | 0.70 | MAPK1 (0.51) | AHREGFRTRPV1 | |
| SCHEMBL27577426 | 0.69 | BACE1 (0.51) | NR3C1PGRNR3C2ARAHR | |
| SCHEMBL25155579 | 0.69 | MCL1 (0.42) | PDPK1KDM4EMAPTRAB9A |
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-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |