Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26132798 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL28152069 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL28152073 | 0.77 | CHRM2 (0.44) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL21172656 | 0.73 | KDM4E (0.46) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL21173000 | 0.71 | KDM4E (0.41) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL23865462 | 0.71 | DRD2 (0.40) | ALDH1A1KDM4EGAA | |
| SCHEMBL21172786 | 0.69 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL24347620 | 0.69 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL21172664 | 0.67 | HSD17B3 (0.52) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 | |
| SCHEMBL24347806 | 0.67 | HSD17B3 (0.52) | ALDH1A1KDM4EHSD17B10SIRT2CTPS1 |
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-109810041-A | Halogenated allyl amine SSAO/VAP-1 inhibitor and its application | 南京药捷安康生物科技有限公司 | 2019-05-28 | — | — | CN | disclosed |