Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.39 |
| ▸ | HTR1E | P28566 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29078168 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HSD17B10HPGDCYP2D6 | |
| SCHEMBL5440741 | 0.80 | TDP1 (0.43) | ALDH1A1CYP3A4HSD17B10CYP2C19MAPT | |
| SCHEMBL4632504 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HSD17B10HPGDCYP2D6 | |
| SCHEMBL30518164 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP1A2RAB9ANPC1MEN1 | |
| SCHEMBL14361137 | 0.76 | HPGD (0.44) | ALDH1A1CYP3A4HSD17B10HPGDCYP2D6 | |
| SCHEMBL30518067 | 0.76 | KMT2A (0.49) | ALDH1A1HPGDCYP2C19MAPTRAB9A | |
| SCHEMBL30518106 | 0.75 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP1A2CYP2C19MAPT | |
| SCHEMBL30518098 | 0.75 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP1A2CYP2C19MAPT | |
| SCHEMBL30518105 | 0.75 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP1A2CYP2C19MAPT | |
| SCHEMBL14188196 | 0.74 | CYP3A4 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDCYP2D6 |
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-116535418-A | Synthesis method and application of chiral N- (1-substituted-allyl) amine | 西安交通大学 | 2023-08-04 | — | — | CN | disclosed |