Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FABP6 | P51161 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 2/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22715518 | 1.00 | ADORA1 (0.37) | ADORA1ADORA2AADORA2BSMN1; SMN2HTT | |
| SCHEMBL29472066 | 0.76 | MAP4K4 (0.43) | — | |
| SCHEMBL22715707 | 0.76 | MAP4K4 (0.43) | — | |
| SCHEMBL22715191 | 0.72 | ADORA1 (0.41) | ADORA1ADORA2AADORA2BSMN1; SMN2HTT | |
| SCHEMBL29439784 | 0.72 | ADORA1 (0.41) | ADORA1ADORA2AADORA2BSMN1; SMN2HTT | |
| SCHEMBL7470290 | 0.72 | SMN1; SMN2 (0.37) | SMN1; SMN2ALDH1A1CYP3A4NR4A2CYP1A2 | |
| SCHEMBL7476392 | 0.72 | ALDH1A1 (0.36) | SMN1; SMN2HTTALDH1A1CYP3A4NR4A2 | |
| SCHEMBL2757284 | 0.68 | DHFR (0.45) | SMN1; SMN2NPY5RALDH1A1CYP3A4TP53 | |
| SCHEMBL1357127 | 0.68 | ADORA3 (0.48) | ADORA1ADORA2ASMN1; SMN2ALDH1A1ADORA3 | |
| SCHEMBL22715337 | 0.68 | LMNA (0.37) | ADORA1ADORA2AADORA2BSMN1; SMN2HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118908957-A | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-114222737-B | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-07-26 | — | — | CN | disclosed |
| CN-114222737-A | Small molecule inhibitor of NF-kB induced kinase | 詹森药业有限公司 | 2022-03-22 | — | — | CN | disclosed |