Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL21709154 | 0.80 | TSHR (0.30) | TSHR | |
| SCHEMBL21708926 | 0.79 | ALDH1A1 (0.31) | KDM1A | |
| SCHEMBL21709159 | 0.78 | TSHR (0.33) | TSHR | |
| SCHEMBL21709152 | 0.77 | ADRA1A (0.41) | TSHRKDM1A | |
| SCHEMBL21709262 | 0.74 | P2RX3 (0.38) | TSHRKDM1A | |
| SCHEMBL21708904 | 0.72 | KDM1A (0.37) | KDM1A | |
| SCHEMBL21709191 | 0.72 | TSHR (0.39) | TSHR | |
| SCHEMBL21709146 | 0.71 | TSHR (0.36) | TSHR | |
| SCHEMBL21708891 | 0.69 | KDM1A (0.35) | KDM1A | |
| SCHEMBL21709162 | 0.68 | TSHR (0.33) | TSHR |
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 |