Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6195151 | 0.83 | NPC1 (0.41) | NPC1RAB9ANISCHSRCSLC9A1 | |
| SCHEMBL1545046 | 0.81 | HSP90AA1 (0.40) | NPC1RAB9ANISCHSLC9A1TP53 | |
| SCHEMBL1544615 | 0.78 | NOTUM (0.49) | NPC1RAB9ANISCHSRCSLC9A1 | |
| SCHEMBL27788542 | 0.76 | MAPT (0.44) | NPC1RAB9ANISCHSLC9A1TP53 | |
| SCHEMBL6195123 | 0.76 | SLC9A1 (0.41) | NPC1RAB9ANISCHSLC9A1TP53 | |
| SCHEMBL5743582 | 0.76 | NPC1 (0.42) | NPC1RAB9ANISCHSLC9A1TP53 | |
| SCHEMBL4325035 | 0.75 | NPC1 (0.40) | NPC1RAB9ANISCHSLC9A1TP53 | |
| SCHEMBL5958357 | 0.75 | NPC1 (0.41) | NPC1RAB9ANISCHSRCSLC9A1 | |
| SCHEMBL5743289 | 0.74 | NPC1 (0.34) | NPC1RAB9ANISCHSLC9A1MEN1 | |
| SCHEMBL6194978 | 0.74 | NPC1 (0.40) | NPC1RAB9ANISCHSLC9A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1691944-A | Oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2005-11-02 | — | — | CN | disclosed |