Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.38 |
| ▸ | CLK2 | P49760 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2901765 | 0.79 | NPC1 (0.45) | NPC1RAB9ANPSR1NPY5RHTT | |
| SCHEMBL7693471 | 0.74 | NPC1 (0.53) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL2248104 | 0.73 | NPC1 (0.46) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL2907467 | 0.71 | NPC1 (0.43) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL2907933 | 0.70 | NPC1 (0.44) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL3272964 | 0.69 | NPC1 (0.40) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL3266901 | 0.69 | HTT (0.48) | NPC1RAB9ANPSR1NPY5RHTT | |
| SCHEMBL3272962 | 0.69 | NPC1 (0.40) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL30018800 | 0.68 | NPC1 (0.50) | NPC1RAB9ANPY5RHTTSMN1; SMN2 | |
| SCHEMBL2902477 | 0.68 | KDM4E (0.47) | NPC1RAB9ANPY5RHTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2076495-B1 | QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES | HOFFMANN LA ROCHE (CH) | 2010-08-18 | — | — | EP | disclosed |