Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2141561 | 0.85 | CHRM2 (0.46) | HRH4L3MBTL1DPP4DPP9DRD2 | |
| SCHEMBL12101030 | 0.80 | CYP2D6 (0.43) | CYP2D6CYP3A4ALDH1A1CYP1A2HPGD | |
| SCHEMBL12101016 | 0.79 | CYP2D6 (0.43) | CYP2D6CYP3A4ALDH1A1CYP1A2HPGD | |
| SCHEMBL1245055 | 0.76 | CHRM2 (0.54) | CYP2D6CYP3A4ALDH1A1CYP1A2TSHR | |
| SCHEMBL12101023 | 0.75 | CYP3A4 (0.42) | CYP2D6CYP3A4ALDH1A1CYP1A2TSHR | |
| SCHEMBL2140702 | 0.74 | CHRM2 (0.46) | HRH4L3MBTL1DPP4DPP9DRD2 | |
| SCHEMBL2140011 | 0.73 | CHRM2 (0.44) | HRH4L3MBTL1DRD2DRD3 | |
| SCHEMBL12101058 | 0.72 | CHRM2 (0.53) | CYP2D6CYP3A4ALDH1A1CYP1A2TSHR | |
| SCHEMBL12100975 | 0.70 | CYP3A4 (0.40) | CYP2D6CYP3A4ALDH1A1CYP1A2HPGD | |
| SCHEMBL12100972 | 0.69 | CYP3A4 (0.46) | CYP2D6CYP3A4ALDH1A1CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2242759-B1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2012-09-12 | — | — | EP | disclosed |