Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11155604 | 0.76 | NISCH (1.00) | NISCHADRA2BCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10937952 | 0.75 | NISCH (0.97) | NISCHADRA2BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18675316 | 0.75 | NISCH (0.39) | NISCH | |
| SCHEMBL25181514 | 0.67 | NISCH (0.40) | NISCHADRA2BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30950411 | 0.66 | KMT2A (0.39) | NISCHADRA2BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8866053 | 0.65 | ALDH1A1 (0.51) | NISCHTSHRKMT2AMEN1POLB | |
| SCHEMBL486434 | 0.65 | — | — | |
| SCHEMBL149432 | 0.63 | — | — | |
| SCHEMBL20518770 | 0.63 | — | — | |
| SCHEMBL16694203 | 0.63 | — | — |
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-2015179441-A2 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. (US) | 2015-11-26 | — | — | WO | disclosed |