Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22436112 | 0.84 | SMN1; SMN2 (0.45) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL14369074 | 0.84 | SMN1; SMN2 (0.45) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL12886849 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL12886703 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL16750998 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL19959352 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL24782113 | 0.80 | SMN1; SMN2 (0.45) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL18270431 | 0.79 | SMN1; SMN2 (0.44) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL14017802 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 | |
| SCHEMBL2606122 | 0.77 | SMN1; SMN2 (0.49) | SMN1; SMN2CHRM2CHRM1CHRM3NPC1 |
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 |