Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL23508652 | 0.91 | TSHR (0.35) | TSHR | |
| SCHEMBL19704093 | 0.81 | HTT (0.35) | TSHRKDM4ETDP1 | |
| SCHEMBL24881000 | 0.80 | TSHR (0.33) | TSHR | |
| SCHEMBL22796149 | 0.79 | TSHR (0.34) | TSHR | |
| SCHEMBL22952365 | 0.74 | NCF1 (0.31) | KMT2A | |
| SCHEMBL14414891 | 0.73 | TSHR (0.32) | TSHR | |
| SCHEMBL19704095 | 0.72 | KMT2A (0.33) | KMT2A | |
| SCHEMBL19704320 | 0.72 | KMT2A (0.33) | KMT2A | |
| SCHEMBL22249004 | 0.71 | TSHR (0.32) | TSHR | |
| SCHEMBL19045070 | 0.71 | ESR1 (0.34) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3464272-B1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO LTD (CN) | 2021-12-08 | — | — | EP | disclosed |
| 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 |