Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | CTRC | Q99895 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28235224 | 0.83 | ALDH1A1 (0.67) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL6176541 | 0.81 | KMT2A (0.49) | ALDH1A1ALDH3A1CES1CTRCMAPT | |
| SCHEMBL6283990 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL18954749 | 0.81 | ALDH1A1 (0.57) | ALDH1A1ALDH3A1MAPTHPGDL3MBTL1 | |
| SCHEMBL28094096 | 0.78 | ALDH1A1 (0.50) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL4597172 | 0.78 | ALDH1A1 (0.60) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL3025248 | 0.78 | ALDH1A1 (0.64) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL3024396 | 0.77 | CDC25A (0.61) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL3023996 | 0.77 | CES1 (0.61) | ALDH1A1ALDH3A1ALDH2CES1CDC25A | |
| SCHEMBL6283905 | 0.77 | ALDH1A1 (0.62) | ALDH1A1ALDH3A1ALDH2CES1CDC25A |
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-105001220-A | Preparation method of indoloquinoline alkaloid analogues | UNIV BOHAI | 2015-10-28 | — | — | CN | disclosed |