Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16459436 | 0.75 | SLC6A2 (0.31) | — | |
| SCHEMBL16479755 | 0.75 | — | — | |
| SCHEMBL24655826 | 0.74 | CHRNB2 (0.33) | CHRNB2CHRNA4HRH3ALDH1A1TSHR | |
| SCHEMBL16476944 | 0.73 | CYP2C19 (0.33) | — | |
| SCHEMBL25680871 | 0.72 | ALOX15 (0.38) | CHRNB2CHRNA4HRH3ALDH1A1TSHR | |
| SCHEMBL22719101 | 0.71 | TRPV1 (0.36) | CHRNB2CHRNA4 | |
| SCHEMBL12092560 | 0.70 | POLB (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL21789415 | 0.68 | CYP2C19 (0.48) | CHRNB2CHRNA4HRH3ALDH1A1TSHR | |
| SCHEMBL12828104 | 0.68 | CYP2A6 (0.33) | — | |
| SCHEMBL16476787 | 0.66 | CYP2C19 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012071519-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |