Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKE | Q14164 | 1/20 | 0.47 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 4/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 3/20 | 0.38 |
| ▸ | JAK3 | P52333 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 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 | |
|---|---|---|---|---|
| SCHEMBL29676766 | 0.87 | IKBKE (0.48) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL16794467 | 0.84 | IKBKE (0.44) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL16794044 | 0.84 | IKBKE (0.49) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL16794039 | 0.82 | BTK (0.45) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL16794198 | 0.81 | BTK (0.65) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL16794380 | 0.80 | IKBKE (0.51) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL19557886 | 0.79 | IKBKE (0.60) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL20445711 | 0.78 | IKBKE (0.48) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL20054055 | 0.77 | IKBKE (0.43) | IKBKETBK1BTKCDK2CCNT1 | |
| SCHEMBL20054019 | 0.77 | IKBKE (0.43) | IKBKETBK1BTKCDK2CCNT1 |
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-109096274-B | Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases | 比奥根MA公司 | 2022-07-01 | — | — | CN | disclosed |