Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.53 |
| ▸ | HTR3B | O95264 | 3/20 | 0.53 |
| ▸ | HTR3A | P46098 | 3/20 | 0.53 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.53 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.50 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25260546 | 0.79 | CHRNB2 (0.55) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL18291422 | 0.79 | CHRNB2 (0.55) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL17770393 | 0.79 | CHRNB2 (0.55) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL16892077 | 0.79 | CHRNB2 (0.55) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL20311310 | 0.79 | CHRNB2 (0.59) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL2923088 | 0.79 | CHRNB2 (0.64) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL27493510 | 0.78 | MAPT (0.44) | CHRNB2CHRNA4TP53CYP1A2THRB | |
| Hydrochloric Acid SCHEMBL3069993 | 0.77 | CHRNB2 (0.62) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL3068345 | 0.77 | CHRNB2 (0.71) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL29731531 | 0.76 | KDM4E (0.55) | CHRNB2CHRNA4 |
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 |