Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 8/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28853231 | 0.80 | MAPT (0.42) | CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL25719743 | 0.76 | HSD17B2 (0.53) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 | |
| SCHEMBL27612438 | 0.76 | PIK3CA (0.58) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 | |
| SCHEMBL27625438 | 0.75 | HSD17B1 (0.68) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 | |
| SCHEMBL27034875 | 0.72 | HSD17B1 (0.63) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 | |
| SCHEMBL23868941 | 0.71 | HSD17B1 (0.74) | HSD17B2HSD17B1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL25458520 | 0.71 | CYP1A2 (0.46) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 | |
| SCHEMBL9801818 | 0.70 | PIK3CA (0.46) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 | |
| SCHEMBL5172881 | 0.69 | PIK3CA (1.00) | PIK3CAPIK3CD | |
| SCHEMBL23630338 | 0.68 | HSD17B1 (0.62) | PIK3CAPIK3CDHSD17B2HSD17B1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679432-A | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | SIGNAL PHARM LLC | 2010-03-24 | — | — | CN | disclosed |