Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1484659 | 0.98 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL409182 | 0.98 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL25225240 | 0.95 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL2281859 | 0.95 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Acetic Acid SCHEMBL405308 | 0.91 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL2561899 | 0.84 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL24960608 | 0.84 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL16671305 | 0.82 | BTK (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL21597046 | 0.82 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1034237 | 0.81 | HRH3 (0.41) | HRH3MAPK1TSHRKMT2AHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102762574-B | Benzoxapi 3K inhibitor compounds and methods of use | HOFFMAN-LA ROCHE LTD. (CH) | 2015-12-02 | — | — | CN | disclosed |
| CN-104987345-A | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE | 2015-10-21 | — | — | CN | disclosed |
| CN-102762574-A | Benzoxapi 3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |