Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.68 |
| ▸ | CA12 | O43570 | 6/20 | 0.68 |
| ▸ | CA1 | P00915 | 6/20 | 0.68 |
| ▸ | CA9 | Q16790 | 6/20 | 0.68 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11044740 | 0.86 | VCAM1 (0.61) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL27915770 | 0.84 | CA2 (0.72) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL27732196 | 0.83 | ALDH1A1 (0.57) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL1008124 | 0.83 | ALDH1A1 (0.54) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL9512230 | 0.83 | VCAM1 (0.50) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL11591103 | 0.81 | CA12 (0.46) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL1911571 | 0.81 | CA2 (0.68) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL1959737 | 0.81 | CA2 (1.00) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL2515785 | 0.80 | ALDH1A1 (0.47) | CA2CA12CA1CA9VCAM1 | |
| SCHEMBL11608006 | 0.80 | CA2 (0.69) | CA2CA12CA1CA9VCAM1 |
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-118271212-A | Caryophyllane derivative, preparation method, application and pharmaceutical composition | 赣江中药创新中心 | 2024-07-02 | — | — | CN | disclosed |