Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | SCN4A | P35499 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SCN1A | P35498 | 2/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157353 | 0.86 | ALDH1A1 (0.46) | ALDH1A1GAATLR8SCN4ACYP1A2 | |
| SCHEMBL10633149 | 0.86 | CYP2C19 (0.47) | ALDH1A1SCN4ACYP1A2LMNASCN1A | |
| SCHEMBL110055 | 0.82 | ALDH1A1 (0.61) | ALDH1A1GAATLR8SCN4ACYP1A2 | |
| SCHEMBL28486036 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAATLR8SCN4ACYP1A2 | |
| SCHEMBL7927132 | 0.80 | ALDH1A1 (0.53) | ALDH1A1GAATLR8SCN4ACYP1A2 | |
| SCHEMBL9228456 | 0.80 | ALDH1A1 (0.46) | ALDH1A1GAATLR8CYP1A2NFKB1 | |
| SCHEMBL13537826 | 0.80 | ALDH1A1 (0.46) | ALDH1A1GAATLR8CYP1A2NFKB1 | |
| SCHEMBL10437701 | 0.80 | ALDH1A1 (0.42) | ALDH1A1GAATLR8SCN4ACYP1A2 | |
| SCHEMBL10633258 | 0.80 | TSHR (0.43) | ALDH1A1CYP1A2LMNATSHRCYP2C19 | |
| SCHEMBL4961658 | 0.78 | NFKB1 (0.48) | ALDH1A1GAATLR8SCN4ACYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102911972-B | Preparation method of algistatic active substance di-isobutoxyphenyl amine | UNIV XIAMEN | 2015-01-21 | — | — | CN | disclosed |
| CN-102911972-B | Preparation method of algistatic active substance di-isobutoxyphenyl amine | UNIV XIAMEN | 2015-01-21 | — | — | CN | disclosed |
| CN-102911972-A | Preparation method of algistatic active substance di-isobutoxyphenyl amine | UNIV XIAMEN | 2013-02-06 | — | — | CN | disclosed |
| CN-102911972-A | Preparation method of algistatic active substance di-isobutoxyphenyl amine | UNIV XIAMEN | 2013-02-06 | — | — | CN | disclosed |