Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.30 |
| ▸ | CA2 | P00918 | 4/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL31303586 | 1.00 | — | — | |
| Acetonitrile SCHEMBL30434534 | 1.00 | TSHR (0.33) | TSHRALDH1A1CA1CA2CA5A | |
| Acetonitrile SCHEMBL6239339 | 0.94 | TSHR (0.31) | TSHRALDH1A1 | |
| Acetonitrile SCHEMBL29799134 | 0.94 | TSHR (0.31) | TSHRALDH1A1 | |
| Acetonitrile SCHEMBL11344692 | 0.94 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.93 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.93 | TSHR (0.36) | TSHRALDH1A1CA1CA2CA5A | |
| Acetonitrile SCHEMBL2562219 | 0.93 | TSHR (0.36) | TSHRALDH1A1CA1CA2CA5A | |
| Acetonitrile SCHEMBL1330705 | 0.93 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.93 | — | — |
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-117561259-A | Preparation method of nitrogen-containing polycyclic condensed ring compound, intermediate and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-13 | — | — | CN | disclosed |