Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 1.00 |
| ▸ | CA1 | P00915 | 5/20 | 1.00 |
| ▸ | CA2 | P00918 | 5/20 | 1.00 |
| ▸ | CA7 | P43166 | 5/20 | 1.00 |
| ▸ | CA9 | Q16790 | 5/20 | 1.00 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 1.00 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.73 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.65 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.59 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.59 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543216 | 1.00 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30968705 | 1.00 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10449048 | 0.87 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9574032 | 0.86 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6702062 | 0.86 | SERPINE1 (0.80) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3309126 | 0.85 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29457603 | 0.85 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL39259 | 0.85 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1656743 | 0.85 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13286799 | 0.85 | SERPINE1 (1.00) | CA12CA1CA2CA7CA9 |
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-118240886-A | Method for synthesizing ethyl salicylate compound by biological enzyme catalysis | 济南大学 | 2024-06-25 | — | — | CN | disclosed |