Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18800412 | 0.87 | BTK (0.43) | BTKSCN9ATNK2 | |
| SCHEMBL18800658 | 0.76 | DHODH (0.41) | BTKSCN9ATNK2 | |
| SCHEMBL18800646 | 0.75 | BTK (0.43) | GPR39BTKSCN9ATNK2 | |
| SCHEMBL18800638 | 0.74 | DHPS (0.41) | SCN9ATNK2 | |
| SCHEMBL18800411 | 0.73 | BTK (0.56) | BTKSCN9ATNK2 | |
| SCHEMBL18800729 | 0.69 | BTK (0.51) | BTK | |
| SCHEMBL18800780 | 0.69 | SCN9A (0.44) | BTKLMNASCN9AF2 | |
| SCHEMBL2194874 | 0.69 | CYP1A2 (0.59) | GPR39BTKKDM4ELMNASMN1; SMN2 | |
| SCHEMBL1162870 | 0.68 | ALDH1A1 (0.48) | BTKLMNAHTTSMN1; SMN2CYP1A2 | |
| SCHEMBL19176340 | 0.68 | ERBB2 (0.41) | BTKSCN9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011019780-A1 | AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-17 | — | — | WO | disclosed |