Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 7/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12100972 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2ALDH1A1HPGD | |
| SCHEMBL2139832 | 0.85 | CHRM3 (0.49) | — | |
| SCHEMBL12101001 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP1A2ALDH1A1HPGD | |
| SCHEMBL4379805 | 0.79 | SLC6A1 (0.38) | CYP3A4CYP2D6CYP1A2ALDH1A1HPGD | |
| SCHEMBL12100993 | 0.76 | ADRB2 (0.59) | DRD3 | |
| SCHEMBL12101040 | 0.76 | GRM5 (0.43) | CYP3A4CYP2D6CYP1A2ALDH1A1HPGD | |
| SCHEMBL12100964 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2ALDH1A1HPGD | |
| SCHEMBL2139895 | 0.76 | CHRM3 (0.45) | — | |
| SCHEMBL12101094 | 0.75 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2ALDH1A1HPGD | |
| SCHEMBL2142587 | 0.71 | CHRM2 (0.45) | — |
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 |