Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL518003 | 0.80 | CA2 (0.54) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL27713652 | 0.78 | CA2 (0.52) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL9585491 | 0.78 | CA2 (0.52) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL2369004 | 0.76 | CA2 (0.50) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL1272448 | 0.76 | HDAC8 (0.39) | CA2CA1CA12CA9CA14 | |
| SCHEMBL2396144 | 0.76 | CA2 (0.54) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL163209 | 0.76 | ALDH1A1 (0.72) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL16527195 | 0.76 | CA2 (0.50) | CA2CA1ALDH1A1CYP2A6CA12 | |
| SCHEMBL7532498 | 0.76 | CA2 (0.50) | CA2CA1CA12CA3CA6 | |
| SCHEMBL14618078 | 0.76 | CA2 (0.50) | CA2CA1ALDH1A1CYP2A6CA12 |
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 |