Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 6/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL18800463 | 0.88 | BTK (0.60) | BTKADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL18800492 | 0.86 | BTK (0.48) | BTKADORA2AADORA1TNK2 | |
| SCHEMBL18800775 | 0.85 | TNK2 (0.48) | BTKADORA2AADORA1TNK2 | |
| SCHEMBL18800616 | 0.85 | BTK (0.47) | BTKADORA2AADORA1TNK2 | |
| SCHEMBL18800753 | 0.85 | BTK (0.49) | BTKADORA2AADORA1TNK2 | |
| SCHEMBL18800769 | 0.85 | ADORA2A (0.48) | BTKADORA2AADORA1SMN1; SMN2NPC1 | |
| SCHEMBL18800882 | 0.84 | BTK (0.42) | BTKNR1H2NR1H3TNK2 | |
| SCHEMBL18800776 | 0.83 | BTK (0.49) | BTKTNK2 | |
| SCHEMBL18800755 | 0.83 | TNK2 (0.50) | BTKTNK2 | |
| SCHEMBL18800641 | 0.83 | BTK (0.42) | BTKNR1H2NR1H3TNK2 |
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 |