Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21170650 | 0.73 | PDE4A (0.38) | ALDH1A1MAPTHTT | |
| SCHEMBL14520640 | 0.73 | ENPP3 (0.41) | ALDH1A1KDM4ETDP1 | |
| SCHEMBL18975770 | 0.71 | KDM4E (0.37) | ALDH1A1KDM4EPIN1NPSR1KDR | |
| SCHEMBL28403506 | 0.71 | ABL1 (0.36) | ALDH1A1KDM4EMAPTHTTPIN1 | |
| SCHEMBL24200601 | 0.71 | EGFR (0.34) | KDR | |
| SCHEMBL16042354 | 0.70 | CYP2C19 (0.45) | ALDH1A1HTTCYP2C19HPGD | |
| SCHEMBL29713718 | 0.70 | CYP2C19 (0.45) | ALDH1A1HTTCYP2C19HPGD | |
| SCHEMBL24491130 | 0.68 | MAP3K8 (0.31) | — | |
| SCHEMBL24491034 | 0.68 | KDM4E (0.33) | ALDH1A1KDM4ENPSR1KDRHPGD | |
| SCHEMBL20849808 | 0.68 | MGAM (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939979-A1 | JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE | Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) | 2022-01-19 | — | — | EP | disclosed |