Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033218 | 0.82 | CHEK1 (0.54) | CHEK1IRAK4 | |
| SCHEMBL28383372 | 0.78 | IRAK4 (0.41) | IRAK4PIM1PIM3 | |
| SCHEMBL20598712 | 0.75 | CHEK1 (0.50) | CHEK1IRAK4PIM1PIM3 | |
| SCHEMBL28379474 | 0.74 | CYP1A2 (0.50) | — | |
| SCHEMBL28383196 | 0.74 | CHEK1 (0.52) | CHEK1IRAK4SLC6A3KCNH2TAAR1 | |
| SCHEMBL20598191 | 0.73 | CHEK1 (0.61) | CHEK1IRAK4 | |
| SCHEMBL30501201 | 0.73 | CHEK1 (0.61) | CHEK1IRAK4 | |
| SCHEMBL20598129 | 0.72 | CHEK1 (0.56) | CHEK1IRAK4PIM1PIM3 | |
| SCHEMBL20598346 | 0.72 | CHEK1 (0.60) | CHEK1IRAK4 | |
| SCHEMBL18428368 | 0.72 | IRAK4 (0.67) | CHEK1IRAK4PIM1PIM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111032642-A | Kinase inhibitors and methods of making and using | 里格尔药品股份有限公司 | 2020-04-17 | — | — | CN | claimed |
| CN-111032642-A | Kinase inhibitors and methods of making and using | 里格尔药品股份有限公司 | 2020-04-17 | — | — | CN | disclosed |