Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28383182 | 0.97 | IRAK4 (0.68) | IRAK4ALDH1A1TSHRNPSR1CHEK1 | |
| SCHEMBL28379236 | 0.96 | IRAK4 (0.69) | IRAK4ALDH1A1TSHRNPSR1CHEK1 | |
| SCHEMBL20598195 | 0.85 | IRAK4 (0.67) | IRAK4ALDH1A1TSHRNPSR1CHEK1 | |
| SCHEMBL28383358 | 0.84 | CHEK1 (0.69) | IRAK4CHEK1 | |
| SCHEMBL20598097 | 0.83 | IRAK4 (0.71) | IRAK4CHEK1IRAK1SMN1; SMN2 | |
| SCHEMBL20598638 | 0.82 | IRAK4 (0.72) | IRAK4ALDH1A1TSHRNPSR1CHEK1 | |
| SCHEMBL20598190 | 0.82 | IRAK4 (0.72) | IRAK4CHEK1IRAK1SMN1; SMN2 | |
| SCHEMBL28382785 | 0.82 | CHEK1 (0.66) | IRAK4CHEK1 | |
| SCHEMBL20598608 | 0.82 | IRAK4 (0.71) | IRAK4NPSR1IRAK1SCN9A | |
| SCHEMBL28383357 | 0.82 | CHEK1 (0.65) | IRAK4CHEK1 |
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 |