Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NEK2 | P51955 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.31 |
| ▸ | CLK3 | P49761 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL20991108 | 0.84 | NPC1 (0.39) | HTTLRRK2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL30684932 | 0.74 | ELANE (0.41) | HTTKDM4ERECQLPOLBLRRK2 | |
| SCHEMBL19620498 | 0.73 | LRRK2 (0.39) | HTTKDM4ERECQLPOLBLRRK2 | |
| SCHEMBL2978064 | 0.69 | LRRK2 (0.41) | HTTKDM4EPOLBLRRK2ALDH1A1 | |
| SCHEMBL4062071 | 0.69 | LRRK2 (0.41) | HTTKDM4ERECQLPOLBHDAC1 | |
| SCHEMBL5026268 | 0.67 | RECQL (0.60) | KDM4ERECQLPOLBALDH1A1NEK2 | |
| SCHEMBL17610285 | 0.67 | RECQL (0.60) | KDM4ERECQLPOLBALDH1A1NEK2 | |
| SCHEMBL5026264 | 0.67 | RECQL (0.60) | KDM4ERECQLPOLBALDH1A1NEK2 | |
| SCHEMBL3288734 | 0.64 | CNR2 (0.49) | HTTCDC7HDAC1LRRK2ALDH1A1 | |
| SCHEMBL31147724 | 0.64 | CYP11B1 (0.43) | KDM4EPOLBLRRK2ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017031215-A1 | PROCESS DEVELOPMENT OF A PYRIDINE-CONTAINING NK-1 RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |