Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 3/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10937952 | 0.99 | NISCH (0.97) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL11154949 | 0.84 | NISCH (0.73) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL10976916 | 0.80 | NISCH (0.66) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL15204269 | 0.78 | NISCH (0.64) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| Imiloxan SCHEMBL757962 | 0.76 | CYP1A2 (1.00) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL17282909 | 0.76 | NISCH (0.60) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| Imiloxan SCHEMBL124122 | 0.75 | MEN1 (1.00) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL3007389 | 0.72 | TSHR (0.63) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL11390786 | 0.71 | NISCH (0.55) | NISCHCYP1A2CYP2D6TSHRMEN1 | |
| Imiloxan SCHEMBL11010829 | 0.71 | TSHR (0.87) | NISCHCYP1A2CYP2D6NFKB1CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4402967-A | BENZODIOXANYL-SUBSTITUTED IMIDAZOLE | SYNTEX (U.S.A.) INC. (US) | 1983-09-06 | — | — | US | claimed |
| US-4402967-A | BENZODIOXANYL-SUBSTITUTED IMIDAZOLE | SYNTEX (U.S.A.) INC. (US) | 1983-09-06 | — | — | US | disclosed |