Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 3/20 | 0.37 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.36 |
| ▸ | CACNG1 | Q06432 | 1/20 | 0.36 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | CACNA1E | Q15878 | 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 | |
|---|---|---|---|---|
| SCHEMBL21178579 | 0.90 | RAF1 (0.40) | MAP4K4ERBB2BTKCACNB4CACNA1A | |
| SCHEMBL21187398 | 0.90 | RAF1 (0.40) | MAP4K4ERBB2BTKCACNB4CACNA1A | |
| SCHEMBL21187338 | 0.89 | JAK3 (0.41) | MAP4K4BTKCACNB4CACNA1ACACNA1G | |
| SCHEMBL21178350 | 0.89 | JAK3 (0.41) | MAP4K4BTKCACNB4CACNA1ACACNA1G | |
| SCHEMBL21187340 | 0.84 | IRAK4 (0.38) | ERBB2TBK1JAK2 | |
| SCHEMBL21279209 | 0.83 | CACNB4 (0.39) | MAP4K4BTKCACNB4CACNA1ACACNA1G | |
| SCHEMBL16079597 | 0.83 | CACNB4 (0.39) | MAP4K4BTKCACNB4CACNA1ACACNA1G | |
| SCHEMBL21178721 | 0.82 | CACNB4 (0.38) | MAP4K4BTKCACNB4CACNA1ACACNA1G | |
| SCHEMBL21187263 | 0.82 | CKS1B (0.39) | ERBB2BTKCACNB4CACNA1ACACNA1G | |
| SCHEMBL21178132 | 0.82 | CKS1B (0.39) | ERBB2BTKCACNB4CACNA1ACACNA1G |
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-2019143678-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-07-25 | — | — | WO | disclosed |