Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.66 |
| ▸ | KDR | P35968 | 9/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.66 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.66 |
| ▸ | AURKA | O14965 | 1/20 | 0.66 |
| ▸ | INSR | P06213 | 1/20 | 0.66 |
| ▸ | FBP1 | P09467 | 1/20 | 0.66 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.66 |
| ▸ | FLT4 | P35916 | 1/20 | 0.66 |
| ▸ | CLK1 | P49759 | 1/20 | 0.66 |
| ▸ | TEK | Q02763 | 1/20 | 0.66 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.66 |
| ▸ | RET | P07949 | 1/20 | 0.60 |
| ▸ | KIF5B | P33176 | 1/20 | 0.60 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.59 |
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 SCHEMBL8813291 | 0.91 | KDR (0.67) | EGFRKDRERBB2EPHB4AURKA | |
| SCHEMBL8309364 | 0.90 | EGFR (0.70) | EGFRKDRERBB2EPHB4AURKA | |
| Hydrochloric Acid SCHEMBL8307571 | 0.89 | EGFR (0.69) | EGFRKDRERBB2EPHB4AURKA | |
| SCHEMBL8307965 | 0.86 | EGFR (0.65) | EGFRKDRERBB2EPHB4AURKA | |
| SCHEMBL8304875 | 0.84 | AURKB (0.69) | EGFRKDRAURKAAURKBRET | |
| SCHEMBL8309261 | 0.84 | EGFR (0.64) | EGFRKDRERBB2AURKAFBP1 | |
| Hydrochloric Acid SCHEMBL8310283 | 0.81 | KDR (0.63) | EGFRKDRERBB2EPHB4AURKA | |
| SCHEMBL5478005 | 0.81 | EGFR (1.00) | EGFRKDRERBB2EPHB4AURKA | |
| SCHEMBL14964683 | 0.81 | EGFR (0.80) | EGFRKDRRETKIF5BHDAC3 | |
| SCHEMBL3328655 | 0.80 | EGFR (0.82) | EGFRKDRERBB2EPHB4AURKA |
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-0790986-B1 | ANILINE DERIVATIVES | ZENECA LTD (GB) | 1999-01-20 | — | — | EP | claimed |
| EP-0790986-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1997-08-27 | — | — | EP | claimed |
| WO-1996015118-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-05-23 | — | — | WO | claimed |
| US-5821246-A | USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER | ZENECA LIMITED (GB) | 1998-10-13 | — | — | US | disclosed |