Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3100846 | 1.00 | TSHR (0.36) | TSHRCYP2C19CA1CA2NPSR1 | |
| SCHEMBL5169910 | 0.77 | TSHR (0.39) | TSHRCYP2C19CA1CA2 | |
| SCHEMBL14734230 | 0.73 | CA1 (0.32) | CA1NPSR1 | |
| SCHEMBL690466 | 0.73 | TSHR (0.35) | TSHRCYP2C19CA1CA2NPSR1 | |
| SCHEMBL17294489 | 0.69 | — | — | |
| SCHEMBL14734260 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL5459017 | 0.65 | TSHR (0.39) | TSHRCYP2C19 | |
| Sulfuric Acid SCHEMBL5465130 | 0.65 | TSHR (0.39) | TSHRCYP2C19CA1CA2 | |
| Sulfuric Acid SCHEMBL16343941 | 0.65 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL780031 | 0.62 | NPSR1 (0.36) | NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0048369-A2 | Diamines and polyamines and their use | BAYER AG (DE) | 1982-03-31 | — | — | EP | disclosed |