Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | SELE | P16581 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | STK39 | Q9UEW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18800614 | 0.86 | ERBB2 (0.42) | PRKCQTNK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18800598 | 0.76 | KDM4E (0.51) | F2PLGPRSS1CYP1A2CYP2C9 | |
| SCHEMBL18800626 | 0.76 | SMN1; SMN2 (0.48) | F2PRSS1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18800738 | 0.76 | TDO2 (0.49) | PRSS1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18800606 | 0.74 | NQO2 (0.43) | F2PRSS1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18800610 | 0.73 | BTK (0.43) | F2PRSS1ALDH1A1BTKCYP3A4 | |
| SCHEMBL18800739 | 0.73 | MEN1 (0.39) | F2PRSS1BTK | |
| SCHEMBL18800557 | 0.72 | PRSS1 (0.45) | PRSS1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6116428 | 0.72 | BTK (0.54) | BTK | |
| SCHEMBL18800867 | 0.69 | BTK (0.50) | PRSS1CYP1A2CYP2C19BTKGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2789615-B1 | Azaindazoles as Btk kinase modulators and use thereof | BRISTOL MYERS SQUIBB CO (US) | 2017-05-03 | — | — | EP | disclosed |