Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 10/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18615747 | 0.83 | CKS1B (0.43) | ACACBKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL13247090 | 0.80 | PIK3CB (0.49) | PIK3CAPIK3CGPIK3R1 | |
| SCHEMBL10154301 | 0.80 | PIK3CB (0.49) | PIK3CAPIK3CGPIK3R1 | |
| SCHEMBL20357409 | 0.77 | LRRK2 (0.44) | ACACBKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7125825 | 0.74 | POLB (0.55) | CYP1A2POLBCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL8253548 | 0.74 | POLB (0.55) | CYP1A2POLBCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6321928 | 0.74 | POLB (0.55) | CYP1A2POLBCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL13247091 | 0.73 | PIK3CB (0.49) | PIK3CAPIK3CGPIK3R1 | |
| SCHEMBL10154218 | 0.73 | PIK3CB (0.49) | PIK3CAPIK3CGPIK3R1 | |
| SCHEMBL3333984 | 0.70 | POLB (0.53) | CYP1A2POLBCYP3A4CYP2C19KDM4E |
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-2397479-A1 | HETERO RING DERIVATIVE | Astellas Pharma Inc. (JP) | 2011-12-21 | — | — | EP | disclosed |