Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709189 | 0.79 | TSHR (0.42) | TSHR | |
| SCHEMBL21708900 | 0.77 | CA12 (0.35) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708859 | 0.76 | CA12 (0.43) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL21709146 | 0.76 | TSHR (0.36) | TSHR | |
| SCHEMBL21709150 | 0.73 | CA12 (0.39) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL21709269 | 0.72 | BCHE (0.39) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709159 | 0.72 | TSHR (0.33) | TSHR | |
| SCHEMBL21709142 | 0.69 | — | — | |
| SCHEMBL21708853 | 0.69 | BCHE (0.36) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708854 | 0.65 | CGAS (0.33) | CA12CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |