Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MITF | O75030 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8096003 | 0.84 | KDM4C (0.38) | ROCK2ROCK1ERBB2JAK3IRAK4 | |
| SCHEMBL8082010 | 0.75 | SYK (0.46) | ERBB2NPC1MAPTPDGFRBKDR | |
| SCHEMBL2986229 | 0.72 | AURKA (0.45) | ERBB2KDR | |
| SCHEMBL2998232 | 0.70 | EGFR (0.46) | ERBB2MEN1KMT2ACSF1R | |
| SCHEMBL8554228 | 0.69 | XDH (0.46) | XDHNPC1MAPTMEN1KMT2A | |
| SCHEMBL8089912 | 0.69 | PARP1 (0.36) | MEN1KMT2AKDM4EPOLB | |
| SCHEMBL8150757 | 0.68 | PDE7A (0.38) | ERBB2NPC1KDRALDH1A1POLB | |
| SCHEMBL8558954 | 0.68 | ERBB2 (0.63) | ERBB2KDR | |
| SCHEMBL8490286 | 0.66 | KMT2A (0.40) | KMT2AKDRCSF1R | |
| SCHEMBL8093504 | 0.65 | ERBB2 (0.70) | ERBB2KDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153617-A | Irreversible bicyclic inhibitors of tyrosine kinases | WARNER-LAMBERT COMPANY (US) | 2000-11-28 | — | — | US | claimed |
| WO-1999006396-A1 | IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-02-11 | — | — | WO | claimed |
| US-6153617-A | Irreversible bicyclic inhibitors of tyrosine kinases | WARNER-LAMBERT COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| WO-1999006396-A1 | IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-02-11 | — | — | WO | disclosed |