Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL15792447 | 1.00 | THRB (0.50) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL15792712 | 1.00 | THRB (0.50) | THRBCA1CA2MMP1MMP2 | |
| Ammonia Solution, Strong SCHEMBL30538863 | 0.98 | THRB (0.48) | THRB | |
| Ammonia Solution, Strong SCHEMBL30602804 | 0.98 | THRB (0.48) | THRB | |
| SCHEMBL9137249 | 0.98 | THRB (0.46) | THRB | |
| SCHEMBL7263134 | 0.96 | THRB (0.46) | THRB | |
| Ammonia Solution, Strong SCHEMBL29598744 | 0.95 | THRB (0.44) | THRB | |
| SCHEMBL915267 | 0.93 | THRB (0.43) | THRB | |
| SCHEMBL917716 | 0.93 | THRB (0.43) | THRB | |
| Ammonia Solution, Strong SCHEMBL29408591 | 0.91 | THRB (0.41) | THRB |
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-114405547-A | Metal complexes | 利兹大学 | 2022-04-29 | — | — | CN | disclosed |