Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LPL | P06858 | 2/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29398358 | 0.86 | ENPP2 (0.56) | ENPP2KDM4EALDH1A1MGLLACHE | |
| SCHEMBL102540 | 0.86 | ENPP2 (0.56) | ENPP2KDM4EALDH1A1MGLLACHE | |
| Dimethylamine SCHEMBL3761544 | 0.80 | ENPP2 (0.50) | ENPP2KDM4EALDH1A1MGLLACHE | |
| Tolyl Boronic Acid SCHEMBL29132351 | 0.79 | CA2 (0.67) | ENPP2CA2LPLLIPGCA1 | |
| Sulfamide SCHEMBL2319598 | 0.76 | ENPP2 (0.48) | ENPP2KDM4EALDH1A1MGLLACHE | |
| Boric Acid SCHEMBL31442978 | 0.75 | NOS3 (0.52) | KDM4EALDH1A1NPC1GBA1MAPK1 | |
| SCHEMBL17899782 | 0.75 | MGLL (0.67) | ENPP2KDM4EALDH1A1MGLLACHE | |
| SCHEMBL7183051 | 0.73 | ACHE (0.52) | ENPP2KDM4EALDH1A1MAPK1ACHE | |
| SCHEMBL3132606 | 0.73 | ENPP2 (0.56) | ENPP2KDM4EALDH1A1MGLLACHE | |
| SCHEMBL590848 | 0.73 | CA2 (0.42) | ENPP2CA2LPLLIPGCA1 |
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-116973436-A | Mass spectrum imaging detection method for compound containing ortho-diphenol hydroxyl functional group in tissue | 中国科学院大连化学物理研究所 | 2023-10-31 | — | — | CN | disclosed |