Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 19/20 | 0.49 |
| ▸ | JAK2 | O60674 | 18/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501030 | 1.00 | NTRK1 (0.49) | NTRK1JAK2RIPK1JAK1 | |
| SCHEMBL21587443 | 0.87 | NTRK1 (0.51) | NTRK1JAK2JAK1 | |
| SCHEMBL2598799 | 0.85 | NTRK1 (0.50) | NTRK1JAK2JAK1 | |
| SCHEMBL15154854 | 0.85 | NTRK1 (0.50) | NTRK1JAK2JAK1 | |
| SCHEMBL30014133 | 0.85 | NTRK1 (0.50) | NTRK1JAK2JAK1 | |
| SCHEMBL23501013 | 0.85 | RIPK1 (0.41) | NTRK1JAK2RIPK1JAK1 | |
| SCHEMBL23501016 | 0.85 | RIPK1 (0.41) | NTRK1JAK2RIPK1JAK1 | |
| SCHEMBL24993318 | 0.83 | RIPK1 (0.47) | NTRK1JAK2RIPK1 | |
| SCHEMBL10241008 | 0.78 | NTRK1 (0.50) | NTRK1JAK2JAK1 | |
| SCHEMBL20187339 | 0.78 | RIPK1 (0.39) | RIPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979679-B | Fluoroheterocyclic derivative having macrocyclic structure and use thereof | 成都倍特药业股份有限公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-112979679-A | Fluoroheterocyclic derivative having macrocyclic structure and use thereof | 成都倍特药业股份有限公司 | 2021-06-18 | — | — | CN | disclosed |
| WO-2021115401-A1 | FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021115401-A1 | FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |