Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.54 |
| ▸ | XDH | P47989 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19204587 | 1.00 | CA1 (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL852816 | 0.85 | KDM4E (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL852815 | 0.85 | KDM4E (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL19204588 | 0.82 | CA12 (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16947984 | 0.80 | VCAM1 (0.52) | ALDH1A1LMNAMAPTHPGDMEN1 | |
| SCHEMBL1485297 | 0.78 | XDH (0.65) | CA1CA2CA12CA7CA9 | |
| SCHEMBL31014147 | 0.77 | PTPN1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL31014140 | 0.77 | PTPN1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9041272 | 0.76 | ALDH1A1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9041267 | 0.76 | ALDH1A1 (0.58) | CA1CA2CA12CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315791-B | Small molecule chemiluminescent probe for realizing surgical navigation and micro-metastasis imaging, and preparation method and application thereof | 东南大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-114315791-A | Small molecule chemiluminescence probe for realizing surgical navigation and imaging of micrometastases, and preparation method and application thereof | 东南大学 | 2022-04-12 | — | — | CN | disclosed |