Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.76 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.76 |
| ▸ | LCK | P06239 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.52 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.51 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAK | O14976 | 1/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | FBP1 | P09467 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 SCHEMBL6185804 | 0.99 | EGFR (0.75) | EGFRERBB2LCKMAPK1ALK | |
| SCHEMBL8307102 | 0.90 | EGFR (0.76) | EGFRERBB2LCKALKERBB3 | |
| SCHEMBL8309272 | 0.90 | EGFR (0.76) | EGFRERBB2LCKERBB3ERBB4 | |
| SCHEMBL17845956 | 0.88 | ERBB2 (0.73) | EGFRERBB2LCKERBB3ERBB4 | |
| SCHEMBL30125866 | 0.88 | ERBB2 (0.73) | EGFRERBB2LCKERBB3ERBB4 | |
| Hydrochloric Acid SCHEMBL29793455 | 0.87 | ERBB2 (0.72) | EGFRERBB2LCKERBB3ERBB4 | |
| Hydrochloric Acid SCHEMBL17845945 | 0.87 | ERBB2 (0.72) | EGFRERBB2LCKERBB3ERBB4 | |
| SCHEMBL8306136 | 0.87 | EGFR (0.69) | EGFRERBB2LCKERBB3ERBB4 | |
| SCHEMBL8306859 | 0.87 | EGFR (1.00) | EGFRERBB2LCKALKERBB4 | |
| Hydrochloric Acid SCHEMBL8309362 | 0.86 | EGFR (0.98) | EGFRERBB2LCKALKERBB4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009070328-A1 | MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-06-04 | — | — | WO | disclosed |
| EP-0790986-B1 | ANILINE DERIVATIVES | ZENECA LTD (GB) | 1999-01-20 | — | — | EP | disclosed |
| EP-0880507-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ZENECA LIMITED (GB) | 1998-12-02 | — | — | EP | disclosed |
| 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 |
| EP-0790986-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1997-08-27 | — | — | EP | disclosed |
| WO-1997030034-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ZENECA LIMITED (GB) | 1997-08-21 | — | — | WO | disclosed |
| WO-1996015118-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-05-23 | — | — | WO | disclosed |