Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15555582 | 0.81 | ALDH1A1 (0.75) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL12786989 | 0.81 | ALDH1A1 (0.75) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL3583405 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL5739160 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL601203 | 0.80 | ALDH1A1 (0.73) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL600934 | 0.79 | ALDH1A1 (0.67) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL14075911 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL6362244 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL22056817 | 0.78 | L3MBTL1 (0.51) | ALDH1A1TSHRHSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL3059418 | 0.77 | ALDH1A1 (0.72) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110540534-B | Synthetic method of organic intermediate compound | 枣庄学院 | 2020-11-13 | — | — | CN | disclosed |
| CN-110540534-A | Synthetic method of organic intermediate compound | UNIV ZAOZHUANG | 2019-12-06 | — | — | CN | disclosed |