Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.57 |
| ▸ | GSK3B | P49841 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | CFD | P00746 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28201097 | 0.83 | LOXL2 (0.59) | LOXL2ALDH1A1PNMTENPP2CFD | |
| Hydrochloric Acid SCHEMBL27418405 | 0.82 | LOXL2 (0.50) | LOXL2PNMTENPP2CFDHTR2C | |
| SCHEMBL27280115 | 0.81 | LOXL2 (0.57) | LOXL2GSK3BPNMTENPP2CFD | |
| SCHEMBL28879968 | 0.81 | LOXL2 (0.57) | LOXL2PNMTENPP2CFDFOLH1 | |
| SCHEMBL2643707 | 0.81 | LOXL2 (0.62) | LOXL2ALDH1A1PNMTENPP2CFD | |
| SCHEMBL5542651 | 0.81 | LOXL2 (0.61) | LOXL2ALDH1A1PNMTENPP2CFD | |
| SCHEMBL27594322 | 0.80 | LOXL2 (0.65) | LOXL2ALDH1A1PNMTENPP2CFD | |
| SCHEMBL8223315 | 0.80 | GSK3B (0.59) | LOXL2GSK3BALDH1A1TRPA1MAPK1 | |
| SCHEMBL2379457 | 0.80 | TRPA1 (0.62) | GSK3BALDH1A1TRPA1MAPK1HIF1A | |
| SCHEMBL28067316 | 0.80 | LOXL2 (0.60) | LOXL2MAPK1ENPP2CFDFOLH1 |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |