Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SCN4A | P35499 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL20204874 | 0.78 | ERBB2 (0.41) | ERBB2LTA4HNPC1RAB9ASCN4A | |
| SCHEMBL20672458 | 0.71 | BTK (0.47) | ERBB2LTA4HNPC1RAB9ASCN4A | |
| SCHEMBL15472736 | 0.70 | ERBB2 (0.58) | ERBB2LTA4HNPC1RAB9ASCN4A | |
| SCHEMBL12712690 | 0.69 | NUDT14 (0.48) | ERBB2LTA4HNPC1RAB9ASCN4A | |
| SCHEMBL23645927 | 0.69 | SOS1 (0.47) | ERBB2LTA4HNPC1RAB9ASCN4A | |
| SCHEMBL197414 | 0.69 | LTA4H (0.75) | LTA4HNPC1RAB9ASCN4ANISCH | |
| SCHEMBL2860844 | 0.69 | LTA4H (0.75) | LTA4HNPC1RAB9ASCN4ANISCH | |
| SCHEMBL6406035 | 0.69 | LTA4H (0.75) | LTA4HNPC1RAB9ASCN4ANISCH | |
| SCHEMBL27568104 | 0.68 | ERBB2 (0.49) | ERBB2LTA4HNPC1RAB9ASCN4A | |
| SCHEMBL23294719 | 0.67 | HAO1 (0.53) | SCN9ADHODH |
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-2020234379-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR | JANSSEN PHARMACEUTICA NV (BE) | 2020-11-26 | — | — | WO | disclosed |