Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 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 | |
|---|---|---|---|---|
| SCHEMBL23508658 | 0.91 | HRH3 (0.33) | TSHR | |
| SCHEMBL24881000 | 0.89 | TSHR (0.33) | TSHR | |
| SCHEMBL19704093 | 0.85 | HTT (0.35) | TSHRSCN1ASCN2ASCN3A | |
| SCHEMBL22796149 | 0.83 | TSHR (0.34) | TSHRSCN1ASCN2ASCN3A | |
| SCHEMBL14414891 | 0.77 | TSHR (0.32) | TSHR | |
| SCHEMBL19704095 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL19704320 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL22249004 | 0.75 | TSHR (0.32) | TSHRSCN1ASCN2ASCN3A | |
| SCHEMBL17888424 | 0.75 | TSHR (0.32) | TSHRNCF1SCN1ASCN2ASCN3A | |
| SCHEMBL20148099 | 0.75 | TSHR (0.32) | TSHRSCN1ASCN2ASCN3A |
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-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |