Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 6/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12101058 | 0.95 | CHRM2 (0.53) | CHRM2CHRM3CYP3A4CYP2D6USP2 | |
| SCHEMBL12100997 | 0.89 | CHRM2 (0.49) | CHRM2CHRM3CYP3A4CYP2D6USP2 | |
| SCHEMBL1246077 | 0.86 | CHRM3 (0.74) | CHRM2CHRM3 | |
| SCHEMBL12101023 | 0.86 | CYP3A4 (0.42) | CHRM2CHRM3CYP3A4CYP2D6USP2 | |
| SCHEMBL12101030 | 0.83 | CYP2D6 (0.43) | CYP3A4CYP2D6USP2ALDH1A1TSHR | |
| SCHEMBL12101033 | 0.83 | CHRM2 (0.56) | CHRM2CHRM3CYP3A4CYP2D6USP2 | |
| SCHEMBL12101065 | 0.82 | CHRM2 (0.50) | CHRM2CHRM3CYP3A4CYP2D6USP2 | |
| SCHEMBL2141063 | 0.81 | CHRM3 (0.72) | CHRM2CHRM3 | |
| SCHEMBL1244827 | 0.78 | CHRM2 (0.63) | CHRM2CHRM3 | |
| SCHEMBL12101016 | 0.77 | CYP2D6 (0.43) | CYP3A4CYP2D6USP2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2242759-B1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2012-09-12 | — | — | EP | disclosed |
| EP-2459572-A2 | SPIROCYCLIC AMIDE DERIVATIVES | AstraZeneca AB (SE) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011012896-A2 | COMPOUNDS - 801 | ASTRAZENECA AB (SE) | 2011-02-03 | — | — | WO | disclosed |