Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.45 |
| ▸ | NOS2 | P35228 | 8/20 | 0.41 |
| ▸ | NOS1 | P29475 | 7/20 | 0.41 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 3/20 | 0.41 |
| ▸ | GAK | O14976 | 2/20 | 0.39 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7843657 | 0.89 | EGFR (0.48) | EGFRGAKWNT1GSK3BDYRK1A | |
| SCHEMBL7852954 | 0.87 | NOS2 (0.51) | NOS2NOS1NOS3BRAF | |
| SCHEMBL7855902 | 0.86 | EGFR (0.46) | EGFRGAK | |
| SCHEMBL7854398 | 0.86 | NOS2 (0.51) | EGFRNOS2NOS1NOS3ACVRL1 | |
| SCHEMBL7853942 | 0.86 | NOS2 (0.43) | EGFRNOS2NOS1NOS3ACVRL1 | |
| SCHEMBL7577697 | 0.83 | EGFR (0.59) | EGFRBRAFGAK | |
| SCHEMBL7582363 | 0.81 | EGFR (0.52) | EGFRBRAFGAKDYRK1A | |
| SCHEMBL7854904 | 0.80 | EGFR (0.47) | EGFRGAK | |
| SCHEMBL7855967 | 0.79 | EGFR (0.43) | EGFRGAK | |
| SCHEMBL7852464 | 0.79 | NOS1 (0.47) | EGFRNOS2NOS1NOS3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163242-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055162-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |