Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28869896 | 1.00 | CA1 (0.49) | CA1CA2THRBTSHRALDH1A1 | |
| SCHEMBL29228535 | 1.00 | CA1 (0.49) | CA1CA2THRBTSHRALDH1A1 | |
| SCHEMBL28619483 | 1.00 | CA1 (0.49) | CA1CA2THRBTSHRALDH1A1 | |
| SCHEMBL28349281 | 0.92 | CA1 (0.41) | CA1CA2THRBTSHRALDH1A1 | |
| SCHEMBL4413724 | 0.84 | CA1 (0.49) | CA1CA2THRB | |
| SCHEMBL4415138 | 0.84 | CA1 (0.49) | CA1CA2THRB | |
| SCHEMBL4423007 | 0.84 | CA1 (0.49) | CA1CA2THRB | |
| SCHEMBL19803179 | 0.83 | TSHR (0.38) | CA1CA2TSHRALDH1A1 | |
| SCHEMBL2692688 | 0.82 | CA1 (0.48) | CA1CA2THRBTSHRALDH1A1 | |
| SCHEMBL9569839 | 0.82 | CA1 (0.48) | CA1CA2THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116763742-A | New indocyanine green delivery system for targeting tumor cell mitochondria and preparation method thereof | 常州大学 | 2023-09-19 | — | — | CN | claimed |
| CN-116763742-A | New indocyanine green delivery system for targeting tumor cell mitochondria and preparation method thereof | 常州大学 | 2023-09-19 | — | — | CN | disclosed |
| CN-116763742-A | New indocyanine green delivery system for targeting tumor cell mitochondria and preparation method thereof | 常州大学 | 2023-09-19 | — | — | CN | disclosed |