Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820276 | 0.83 | NR3C1 (0.47) | NR3C1ALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL5945125 | 0.79 | NR3C1 (0.68) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 | |
| SCHEMBL29407201 | 0.79 | NR3C1 (0.68) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 | |
| Hydrochloric Acid SCHEMBL11059615 | 0.78 | NR3C1 (0.67) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 | |
| SCHEMBL30280484 | 0.76 | NR3C1 (0.65) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 | |
| SCHEMBL28974174 | 0.76 | NR3C1 (0.65) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 | |
| SCHEMBL11569941 | 0.76 | NR3C1 (0.47) | NR3C1ALDH1A1SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL8394565 | 0.74 | POLB (0.50) | ALDH1A1POLBHTR7CYP1A2TP53 | |
| SCHEMBL11439452 | 0.74 | NR3C1 (0.55) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 | |
| SCHEMBL28038520 | 0.73 | NR3C1 (0.63) | NR3C1ALDH1A1SMN1; SMN2POLBNR3C2 |
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-114773289-A | Nitrobenzoisothiazole azo compound and application thereof | 辽宁庸信达染料化工有限公司 | 2022-07-22 | — | — | CN | disclosed |