Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL25525583 | 0.84 | BTK (0.62) | BTKEPHX1KMT2A | |
| SCHEMBL6643733 | 0.84 | BTK (0.62) | BTKEPHX1KMT2A | |
| SCHEMBL7958929 | 0.82 | BTK (0.44) | BTKEPHX1NPSR1HPGDKMT2A | |
| SCHEMBL8162383 | 0.82 | EPHX1 (0.44) | BTKEPHX1NPSR1HPGDKMT2A | |
| SCHEMBL7790384 | 0.82 | BTK (0.51) | BTKEPHX1NPSR1CYP2D6KMT2A | |
| SCHEMBL16513497 | 0.81 | CYP2D6 (0.47) | BTKEPHX1CYP2D6SMYD3HPGD | |
| SCHEMBL12500923 | 0.81 | ALDH1A1 (0.43) | BTKEPHX1NPSR1HPGDKMT2A | |
| SCHEMBL8163075 | 0.79 | EPHX1 (0.47) | BTKEPHX1NPSR1HPGDKMT2A | |
| SCHEMBL423315 | 0.78 | — | — | |
| SCHEMBL10007376 | 0.77 | BTK (0.45) | BTKEPHX1NPSR1CYP2D6KMT2A |
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-105189481-A | Pyridine cdk9 kinase inhibitors | ABBVIE INC | 2015-12-23 | — | — | CN | disclosed |