Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.63 |
| ▸ | HTT | P42858 | 4/20 | 0.63 |
| ▸ | GAA | P10253 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | VCP | P55072 | 2/20 | 0.56 |
| ▸ | PTGES | O14684 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043514 | 0.92 | SIRT2 (0.80) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043513 | 0.90 | SIRT2 (0.84) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043512 | 0.89 | NPSR1 (0.78) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043510 | 0.87 | SIRT2 (0.71) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043757 | 0.82 | SIRT2 (0.71) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL16409978 | 0.81 | SIRT2 (1.00) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043508 | 0.80 | NPC1 (0.66) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043511 | 0.78 | NPC1 (0.63) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043808 | 0.78 | NPC1 (0.63) | SIRT2NPSR1HTTGAAKMT2A | |
| SCHEMBL28043507 | 0.77 | NPC1 (0.67) | SIRT2NPSR1KMT2AMEN1ALDH1A1 |
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-105130917-A | 1,2,4-triazolothio-ether derivative as well as preparation and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2015-12-09 | — | — | CN | disclosed |