Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 7/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 7/20 | 0.53 |
| ▸ | EGFR | P00533 | 4/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.53 |
| ▸ | ROS1 | P08922 | 1/20 | 0.53 |
| ▸ | FLT3 | P36888 | 1/20 | 0.53 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
| ▸ | TNF | P01375 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | LTK | P29376 | 1/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8893805 | 0.99 | ERBB2 (0.98) | ERBB2NR1I2EGFRAURKBCLK4 | |
| SCHEMBL8560275 | 0.91 | ERBB2 (1.00) | ERBB2NR1I2EGFRAURKBCLK4 | |
| Hydrochloric Acid SCHEMBL8895524 | 0.90 | ERBB2 (0.98) | ERBB2NR1I2EGFRAURKBCLK4 | |
| SCHEMBL8554934 | 0.83 | ERBB2 (1.00) | ERBB2EGFRAURKBCLK4CHEK2 | |
| SCHEMBL31061496 | 0.83 | ERBB2 (1.00) | ERBB2EGFRAURKBCLK4CHEK2 | |
| Hydrochloric Acid SCHEMBL8597573 | 0.82 | ERBB2 (0.98) | ERBB2EGFRAURKBCLK4CHEK2 | |
| SCHEMBL31061501 | 0.78 | ERBB2 (0.76) | ERBB2EGFRERBB4MAP2K1 | |
| SCHEMBL8561085 | 0.78 | ERBB2 (0.76) | ERBB2EGFRERBB4MAP2K1 | |
| Hydrochloric Acid SCHEMBL8557183 | 0.74 | ERBB2 (0.59) | ERBB2NR1I2TNFCYP11B1CYP11B2 | |
| SCHEMBL7119433 | 0.74 | ERBB2 (0.68) | ERBB2EGFRERBB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0843671-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1998-05-27 | — | — | EP | claimed |
| WO-1997003069-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1997-01-30 | — | — | WO | claimed |
| EP-0843671-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997003069-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1997-01-30 | — | — | WO | disclosed |