Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 10/20 | 0.40 |
| ▸ | SCN4A | P35499 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NUDT14 | O95848 | 2/20 | 0.37 |
| ▸ | NUDT5 | Q9UKK9 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22710397 | 0.78 | ERBB2 (0.48) | ERBB2SCN9ABTKSCN4ANPC1 | |
| SCHEMBL20672458 | 0.70 | BTK (0.47) | ERBB2BTKSCN4ANPC1LTA4H | |
| SCHEMBL16197120 | 0.69 | SCN9A (0.50) | SCN9ABTKSCN4APARP10 | |
| SCHEMBL19176340 | 0.68 | ERBB2 (0.41) | ERBB2SCN9ABTKSCN4ANPC1 | |
| SCHEMBL19533553 | 0.68 | ERBB2 (0.41) | ERBB2SCN9ABTKSCN4ANPC1 | |
| SCHEMBL12712690 | 0.68 | NUDT14 (0.48) | ERBB2SCN9ABTKSCN4ANPC1 | |
| SCHEMBL15472736 | 0.66 | ERBB2 (0.58) | ERBB2BTKSCN4ANPC1LTA4H | |
| SCHEMBL28034854 | 0.65 | SCN9A (0.52) | ERBB2SCN9ABTKSCN4APARP10 | |
| SCHEMBL27568104 | 0.64 | ERBB2 (0.49) | ERBB2SCN9ABTKSCN4ANPC1 | |
| SCHEMBL19352727 | 0.64 | NUDT14 (0.44) | ERBB2SCN9ABTKSCN4ANPC1 |
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-2018098473-A1 | REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-31 | — | — | WO | disclosed |