Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 7/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 4/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | SELE | P16581 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18800716 | 0.86 | PRKCQ (0.37) | TNK2PRKCQCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18800598 | 0.76 | KDM4E (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18800626 | 0.74 | SMN1; SMN2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18800738 | 0.73 | TDO2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18800739 | 0.73 | MEN1 (0.39) | — | |
| SCHEMBL6115984 | 0.72 | BTK (0.51) | ERBB2 | |
| SCHEMBL18800606 | 0.72 | NQO2 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18800610 | 0.71 | BTK (0.43) | CYP3A4 | |
| SCHEMBL18800557 | 0.70 | PRSS1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18800873 | 0.69 | SCN5A (0.37) | FEN1ALOX5AP |
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 |