Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 1.00 |
| ▸ | GAK | O14976 | 6/20 | 1.00 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.71 |
| ▸ | ILK | Q13418 | 2/20 | 0.71 |
| ▸ | FLT1 | P17948 | 2/20 | 0.71 |
| ▸ | KDR | P35968 | 2/20 | 0.71 |
| ▸ | PLK4 | O00444 | 1/20 | 0.71 |
| ▸ | CIT | O14578 | 1/20 | 0.71 |
| ▸ | AURKA | O14965 | 1/20 | 0.71 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.71 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.71 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.71 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.71 |
| ▸ | BUB1 | O43683 | 1/20 | 0.71 |
| ▸ | KDM1A | O60341 | 1/20 | 0.71 |
| ▸ | JAK2 | O60674 | 1/20 | 0.71 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.71 |
| ▸ | STK17B | O94768 | 1/20 | 0.71 |
| ▸ | STK10 | O94804 | 1/20 | 0.71 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL29749690 | 1.00 | EGFR (1.00) | EGFRGAKERBB2ILKFLT1 | |
| Hydrochloric Acid SCHEMBL29785616 | 0.99 | EGFR (0.98) | EGFRGAKERBB2ILKFLT1 | |
| Hydrochloric Acid SCHEMBL29785631 | 0.84 | EGFR (0.72) | EGFRGAKERBB2ILKFLT1 | |
| SCHEMBL23196396 | 0.84 | EGFR (0.72) | EGFRGAKERBB2ILKFLT1 | |
| SCHEMBL7001923 | 0.84 | EGFR (0.77) | EGFRGAKERBB2FLT1KDR | |
| Erlotinib SCHEMBL18562 | 0.83 | EGFR (0.96) | EGFRGAKERBB2ILKFLT1 | |
| Erlotinib SCHEMBL30362833 | 0.83 | EGFR (1.00) | EGFRGAKERBB2ILKFLT1 | |
| Erlotinib SCHEMBL3667407 | 0.83 | EGFR (1.00) | EGFRGAKERBB2ILKFLT1 | |
| Erlotinib SCHEMBL29351329 | 0.83 | EGFR (1.00) | EGFRGAKERBB2ILKFLT1 | |
| Erlotinib SCHEMBL8413 | 0.83 | EGFR (1.00) | EGFRGAKERBB2ILKFLT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110075299-A | Double target compounds, preparation method and application | 上海交通大学医学院 | 2019-08-02 | — | — | CN | disclosed |
| EP-1494676-B1 | FUSED QUINOXALINE DERIVATIVES AS INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012150606-A2 | A PROCESS FOR PREPARING STABLE POLYMOPHIC FORM OF ERLOTINIB HYDROCHLORIDE | CADILA HEALTHCARE LIMITED (IN) | 2012-11-08 | — | — | WO | disclosed |