Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2944463 | 0.82 | CYP1A2 (0.50) | ALDH1A1MAPTCYP2D6CYP1A2CYP2C19 | |
| SCHEMBL2944462 | 0.82 | CYP1A2 (0.50) | ALDH1A1MAPTCYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5843591 | 0.82 | TDP1 (0.55) | TDP1TSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL7100075 | 0.81 | CYP1A2 (0.48) | ALDH1A1MAPTCYP2D6CYP1A2CYP2C19 | |
| Hydrazine SCHEMBL10799085 | 0.79 | TSHR (0.60) | TDP1TSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL260960 | 0.78 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL1786261 | 0.78 | TSHR (0.59) | TDP1TSHRALDH1A1HSD17B10MAPT | |
| Hydrogen Peroxide SCHEMBL28474133 | 0.78 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10MAPT | |
| Hydrogen Peroxide SCHEMBL28425777 | 0.78 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL29199324 | 0.78 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10MAPT |
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-103261156-B | For treating the noval chemical compound of neurodegenerative disease | 鲁汶天主教大学研究开发部 | 2016-12-28 | — | — | CN | disclosed |