Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 3/20 | 0.36 |
| ▸ | PRKDC | P78527 | 9/20 | 0.35 |
| ▸ | SIK1 | P57059 | 1/20 | 0.35 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.35 |
| ▸ | SIK3 | Q9Y2K2 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.33 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21178291 | 1.00 | ERBB2 (0.36) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL21178290 | 1.00 | ERBB2 (0.36) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL22651968 | 0.90 | ERBB2 (0.35) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL21179454 | 0.88 | ERBB2 (0.38) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL21179453 | 0.88 | ERBB2 (0.38) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL28458341 | 0.87 | ERBB2 (0.35) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL21187304 | 0.87 | ERBB2 (0.35) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL30823287 | 0.87 | ERBB2 (0.35) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL21187288 | 0.86 | LMNA (0.41) | ERBB2PRKDCSIK1SIK2SIK3 | |
| SCHEMBL21177844 | 0.86 | LMNA (0.41) | ERBB2PRKDCSIK1SIK2SIK3 |
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 |