Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 3/20 | 0.34 |
| ▸ | SLC8A1 | P32418 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PRKCB | P05771 | 2/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PRKCH | P24723 | 1/20 | 0.31 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ARG1 | P05089 | 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 | |
|---|---|---|---|---|
| SCHEMBL8740985 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5127132 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8741015 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9265487 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8741013 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20722633 | 0.87 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9521425 | 0.86 | HTR3A (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6216943 | 0.86 | HTR3A (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6211943 | 0.86 | HTR3A (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL30738285 | 0.84 | HTR3A (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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-3856737-A1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020064792-A1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-04-02 | — | — | WO | disclosed |