Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL394717 | 0.82 | TSHR (0.56) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL130383 | 0.82 | TSHR (0.56) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL19270461 | 0.82 | CES2 (0.40) | TSHRMAPK1PTPN5ALDH1A1IDO1 | |
| SCHEMBL3684529 | 0.82 | CES2 (0.46) | TSHRMAPK1ALDH1A1IDO1MAPT | |
| SCHEMBL29136201 | 0.79 | CES2 (0.44) | TSHRMAPK1ALDH1A1IDO1MAPT | |
| Iodide SCHEMBL31550893 | 0.79 | TSHR (0.54) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL28802521 | 0.79 | CES2 (0.44) | TSHRMAPK1ALDH1A1IDO1MAPT | |
| SCHEMBL27859051 | 0.79 | TSHR (0.54) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| Hydrochloric Acid SCHEMBL9741395 | 0.79 | TSHR (0.54) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| Water SCHEMBL27788452 | 0.79 | CES2 (0.44) | TSHRMAPK1ALDH1A1IDO1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896426-B1 | PROCESS FOR THE SYNTHESIS OF ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010009402-A9 | NILOTINIB INTERMEDIATES AND PREPARATION THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010060074-A1 | PREPARATION OF NILOTINIB AND INTERMEDIATES THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-05-27 | — | — | WO | disclosed |
| WO-2010009402-A2 | NILOTINIB INTERMEDIATES AND PREPARATION THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-01-21 | — | — | WO | disclosed |
| WO-2007067444-A1 | BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |