Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29901519 | 0.89 | TRPA1 (0.31) | — | |
| SCHEMBL19983 | 0.89 | TRPA1 (0.31) | — | |
| SCHEMBL27543379 | 0.87 | TRPA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7403491 | 0.87 | TRPA1 (0.31) | — | |
| SCHEMBL27611235 | 0.87 | TRPA1 (0.31) | — | |
| Hydrogen Sulfide SCHEMBL27732874 | 0.87 | TRPA1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL27596721 | 0.87 | TRPA1 (0.31) | — | |
| SCHEMBL433359 | 0.87 | TRPA1 (0.31) | — | |
| Cycloheptane SCHEMBL27301709 | 0.84 | — | — | |
| Carbamic Acid SCHEMBL4912022 | 0.81 | LMNA (0.36) | TSHRTDP1 |
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-105837564-A | Pyridine-containing benzothiazepine derivatives, and preparation method and application thereof | 贵州大学 | 2016-08-10 | — | — | CN | claimed |
| CN-105837564-B | One kind benzothiazepines containing pyridine derivative, preparation method and the usage | 贵州大学 | 2019-02-05 | — | — | CN | disclosed |
| CN-105837564-A | Pyridine-containing benzothiazepine derivatives, and preparation method and application thereof | 贵州大学 | 2016-08-10 | — | — | CN | disclosed |