Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 9/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 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 | |
|---|---|---|---|---|
| SCHEMBL15442444 | 0.81 | NR2E1 (0.49) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL3343040 | 0.80 | NR2E1 (0.48) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL13122728 | 0.77 | NR2E1 (0.47) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL9701793 | 0.76 | NR2E1 (0.48) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL1824198 | 0.75 | NR2E1 (0.43) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22198914 | 0.74 | NR2E1 (0.60) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL1927286 | 0.73 | NR2E1 (0.52) | NR2E1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1719338 | 0.73 | NR2E1 (0.46) | NR2E1CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL27985278 | 0.73 | CYP1A2 (0.65) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL15381990 | 0.73 | NR2E1 (0.62) | NR2E1CYP1A2CYP2E1CYP2A6PSEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010009402-A9 | NILOTINIB INTERMEDIATES AND PREPARATION THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010009402-A2 | NILOTINIB INTERMEDIATES AND PREPARATION THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-01-21 | — | — | WO | disclosed |