Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 12/20 | 0.50 |
| ▸ | JAK2 | O60674 | 10/20 | 0.50 |
| ▸ | PDE2A | O00408 | 2/20 | 0.46 |
| ▸ | TYK2 | P29597 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL309283 | 0.76 | KDM4E (0.43) | JAK2PDE2AALDH1A1KDM4E | |
| SCHEMBL22947094 | 0.75 | KDM4E (0.67) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL18754643 | 0.74 | KDM4E (0.66) | ALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL21689538 | 0.74 | KDM4E (0.66) | ALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL18732210 | 0.74 | KDM4E (0.66) | ALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL18757492 | 0.74 | KDM4E (0.66) | ALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL308924 | 0.74 | KDM4E (0.42) | JAK2PDE2AALDH1A1KDM4E | |
| SCHEMBL15778762 | 0.73 | PDE2A (0.41) | NTRK1JAK2PDE2AALDH1A1KDM4E | |
| SCHEMBL10071025 | 0.72 | LMNA (0.44) | JAK2PDE2AALDH1A1KDM4EHPGD | |
| Lithium Ion SCHEMBL308923 | 0.72 | PDE2A (0.40) | JAK2PDE2AALDH1A1HPGD |
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-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 |